David Joseph Singh
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American physicist
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Physics
David Joseph Singh's Degrees
- Masters Physics Stanford University
Why Is David Joseph Singh Influential?
(Suggest an Edit or Addition)According to Wikipedia, David Joseph Singh is a theoretical physicist who is a curators' professor in the Department of Physics and Astronomy at the University of Missouri in Columbia, Missouri. He was previously a corporate fellow at the Oak Ridge National Laboratory .
David Joseph Singh's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- BoltzTraP. A code for calculating band-structure dependent quantities (2006) (3453)
- Unconventional superconductivity with a sign reversal in the order parameter of LaFeAsO1-xFx. (2008) (1532)
- Planewaves, Pseudopotentials, and the LAPW Method (1993) (1284)
- Density functional study of LaFeAsO(1-x)F(x): a low carrier density superconductor near itinerant magnetism. (2008) (774)
- An alternative way of linearizing the augmented-plane-wave method (2000) (773)
- Superconductivity at 22 K in Co-doped BaFe2As2 crystals. (2008) (708)
- Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity (2008) (550)
- Giant anharmonic phonon scattering in PbTe. (2011) (457)
- Light scattering and surface plasmons on small spherical particles (2014) (421)
- Electronic structure of NaCo 2 O 4 (2000) (372)
- On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective (2016) (328)
- Electronic structure and doping in BaFe 2 As 2 and LiFeAs: Density functional calculations (2008) (277)
- Electronic structure calculations with the Tran-Blaha modified Becke-Johnson Density Functional (2010) (262)
- Problems with reconciling density functional theory calculations with experiment in ferropnictides (2008) (249)
- Electronic structure and magnetism in Ru based perovskites (1997) (249)
- Electronic correlations in the iron pnictides (2009) (249)
- Analysis of the thermoelectric properties of n-type ZnO (2011) (245)
- CALCULATED THERMOELECTRIC PROPERTIES OF LA-FILLED SKUTTERUDITES (1997) (234)
- Doping-dependent thermopower of PbTe from Boltzmann transport calculations (2010) (219)
- Wide bandgap tunability in complex transition metal oxides by site-specific substitution (2012) (219)
- Electronic structure of the iron-based superconductor LaOFeP (2008) (216)
- Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium (2003) (216)
- Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance (2019) (212)
- Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance (2019) (212)
- Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties (2017) (212)
- Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties (2017) (212)
- UV-enhanced bioactivity and cell response of micro-arc oxidized titania coatings. (2008) (200)
- Ferromagnetic spin fluctuation induced superconductivity in Sr_2RuO_4 (1997) (197)
- Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg3Sb2-based materials (2017) (197)
- Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg3Sb2-based materials (2017) (197)
- High-temperature thermoelectric performance of heavily doped PbSe (2010) (195)
- Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency (2018) (194)
- Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency (2018) (194)
- Giant optical anisotropy in a quasi-one-dimensional crystal (2018) (181)
- Origin of high transport spin polarization in La 0.7 Sr 0.3 MnO 3 : Direct evidence for minority spin states (2000) (167)
- Connections between the electron-energy-loss spectra, the local electronic structure, and the physical properties of a material: A study of nickel aluminum alloys (1998) (166)
- Adsorption of single Li and the formation of small Li clusters on graphene for the anode of lithium-ion batteries. (2013) (165)
- Electronic, transport, and optical properties of bulk and mono-layer PdSe2 (2015) (152)
- Electronic, transport, and optical properties of bulk and mono-layer PdSe2 (2015) (152)
- Connecting thermoelectric performance and topological-insulator behavior: Bi$_2$Te$_3$ and Bi$_{2}$Te$_{2}$Se from first principles (2014) (149)
- Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping (2018) (143)
- Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping (2018) (143)
- Competitions in Layered Ruthenates: Ferromagnetism versus Antiferromagnetism and Triplet versus Singlet Pairing (1999) (141)
- Importance of non-parabolic band effects in the thermoelectric properties of semiconductors (2013) (133)
- Electronic structure, local moments, and transport in Fe 2 VAl (1998) (132)
- Structure and optical properties of high light output halide scintillators (2010) (131)
- Fermi surface and van Hove singularities in the itinerant Metamagnet Sr3Ru2O7. (2008) (127)
- Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se,S) from first principles (2012) (125)
- ELECTRONIC AND MAGNETIC PROPERTIES OF THE 4D ITINERANT FERROMAGNET SRRUO3 (1996) (122)
- Bandgap Control via Structural and Chemical Tuning of Transition Metal Perovskite Chalcogenides (2017) (121)
- Doping and temperature dependence of thermoelectric properties in Mg2(Si,Sn) (2012) (115)
- Effects of microstructure on high temperature dwell fatigue crack growth in a coarse grain PM nickel based superalloy (2015) (114)
- Comparing the weighted density approximation with the LDA and GGA for ground-state properties of ferroelectric perovskites (2004) (112)
- Influence of band structure on the large thermoelectric performance of lanthanum telluride (2009) (111)
- Fermi Surfaces, Fermi Liquids, and High-Temperature Superconductors (1992) (111)
- Density functional study of excess Fe in Fe1+xTe: Magnetism and doping (2008) (110)
- Strain effects on the band gap and optical properties of perovskite SrSnO3 and BaSnO3 (2014) (108)
- Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers (2018) (106)
- First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs (2016) (105)
- Coordination Number Regulation of Molybdenum Single-Atom Nanozyme Peroxidase-like Specificity (2020) (105)
- High three-dimensional thermoelectric performance from low-dimensional bands. (2012) (101)
- Electronic structure and magnetism of complex materials (2003) (95)
- Unconventional electronic reconstruction in undoped ( Ba , Sr ) Fe 2 As 2 across the spin density wave transition (2009) (94)
- Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions (2019) (94)
- Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics. (2013) (91)
- Room-temperature intrinsic ferromagnetism in epitaxial CrTe2 ultrathin films (2021) (91)
- Quantum critical behavior and possible triplet superconductivity in electron-doped CoO 2 sheets (2003) (89)
- Study of the thermoelectric properties of lead selenide doped with boron, gallium, indium, or thallium. (2012) (89)
- Lattice dynamics and reduced thermal conductivity of filled skutterudites (1999) (88)
- First-principles study of the stability of BN and C (2001) (88)
- Electronic structure of Fe-based superconductors (2009) (88)
- Theoretical atomic volumes of the light actinides (2000) (88)
- Quantum oscillations in the parent magnetic phase of an iron arsenide high temperature superconductor (2008) (87)
- Active learning for accelerated design of layered materials (2018) (87)
- Active learning for accelerated design of layered materials (2018) (87)
- First principles analysis of vibrational modes in KNbO3 (1992) (85)
- Transport, optical and electronic properties of the half metal CrO2 (1998) (84)
- Suppression of thermopower of Na x Co O 2 by an external magnetic field: Boltzmann transport combined with spin-polarized density functional theory (2007) (84)
- Solid salt confinement effect: An effective strategy to fabricate high crystalline polymer carbon nitride for enhanced photocatalytic hydrogen evolution (2019) (83)
- The Electronic Properties of Single-Layer and Multilayer MoS2 under High Pressure (2015) (81)
- Thermoelectric properties of AgGaTe2 and related chalcopyrite structure materials (2012) (79)
- Surface plasmon resonance technique for directly probing the interaction of DNA and graphene oxide and ultra-sensitive biosensing. (2014) (79)
- Hydrogen stabilized RhPdH 2D bimetallene nanosheets for efficient alkaline hydrogen evolution. (2020) (79)
- Superconductivity and electronic structure of perovskite MgCNi 3 (2001) (79)
- Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e- (1993) (78)
- Bone integration capability of a series of strontium-containing hydroxyapatite coatings formed by micro-arc oxidation. (2013) (78)
- Evidence for strong itinerant spin fluctuations in the normal state of CeFeAsO0.89F0.11 iron-oxypnictide superconductors. (2008) (77)
- Formation mechanism of HA-based coatings by micro-arc oxidation (2008) (77)
- Seebeck and figure of merit enhancement in nanostructured antimony telluride by antisite defect suppression through sulfur doping. (2012) (76)
- Absence of superconductivity in hole-doped BaFe2 xCrxAs2 single crystals (2009) (74)
- Microstructure and bioactivity of Ca, P and Sr doped TiO2 coating formed on porous titanium by micro-arc oxidation (2010) (73)
- Controlling phase transition for single-layer MTe2 (M = Mo and W): modulation of the potential barrier under strain. (2016) (73)
- Hydroxyapatite coatings prepared by micro-arc oxidation in Ca-and P-containing electrolyte (2007) (72)
- Interplay between A -site and B -site driven instabilities in perovskites (2005) (69)
- Bipolar Conduction as the Possible Origin of the Electronic Transition in Pentatellurides: Metallic vs Semiconducting Behavior (2016) (69)
- Pseudogaps, Jahn-Teller distortions, and magnetic order in manganite perovskites (1998) (69)
- Ab initio phonon dispersions for PbTe (2008) (69)
- Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials (2018) (68)
- Structure and properties of single crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2. (2011) (67)
- Electronic fitness function for screening semiconductors as thermoelectric materials (2017) (67)
- Structural, Electronic, and Magnetic Properties of MnO (2000) (67)
- Possible coexistence of rotational and ferroelectric lattice distortions in rhombohedral PbZr x Ti 1 − x O 3 (2000) (67)
- Metallic "ferroelectricity" in the pyrochlore Cd2Re2O7. (2004) (67)
- Electronic fitness function for screening semiconductors as thermoelectric materials (2017) (67)
- Evidence for three-dimensional Fermi-surface topology of the layered electron-doped iron superconductor Ba(Fe 1-x Co x ) 2 As 2 (2009) (66)
- First-principles study of Zn-Sb thermoelectrics (1997) (66)
- Polar behavior in a magnetic perovskite from a-site size disorder: a density functional study. (2008) (66)
- Trends in Electrical Transport of p-type Skutterudites RFe4Sb12 (R-Na,K,Ca,Sr,Ba,La,Ce,Pr,Yb) from First Principles Calculations and Boltzmann Transport Theory (2011) (65)
- High-T_{c} Superconductivity in FeSe at High Pressure: Dominant Hole Carriers and Enhanced Spin Fluctuations. (2016) (64)
- High temperature magnetic ordering in the 4d perovskite SrTcO3. (2011) (64)
- Density functional study of BaNi2As2 : Electronic structure, phonons, and electron-phonon superconductivity (2008) (64)
- Why Ni3Al is an itinerant ferromagnet but Ni3Ga is not. (2003) (63)
- Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x (2008) (62)
- Dimensionality Controlled Octahedral Symmetry-Mismatch and Functionalities in Epitaxial LaCoO₃/SrTiO₃ Heterostructures. (2015) (62)
- Electronic structure of the pyrochlore metals Cd 2 Os 2 O 7 and Cd 2 Re 2 O 7 (2001) (62)
- Recent progress of TMD nanomaterials: phase transitions and applications. (2020) (62)
- ELECTRONIC STRUCTURE AND THERMOELECTRIC PROSPECTS OF PHOSPHIDE SKUTTERUDITES (1999) (61)
- Zintl-phase compounds with SnSb4 tetrahedral anions. Electronic structure and thermoelectric properties (2010) (61)
- Unusual transport and strongly anisotropic thermopower in PtCoO2 and PdCoO2. (2010) (60)
- Optical properties of PbTe and PbSe (2012) (60)
- First principles investigations of the thermoelectric behavior of tin sulfide (2010) (60)
- Applicability of the Strongly Constrained and Appropriately Normed Density Functional to Transition-Metal Magnetism. (2018) (60)
- Transparent conducting properties of SrSnO3 and ZnSnO3 (2015) (60)
- Frustration of tilts and A-site driven ferroelectricity in KNbO3-LiNbO3 alloys. (2006) (59)
- Enhanced Born charge and proximity to ferroelectricity in thallium halides (2010) (59)
- Valence Band Splitting on Multilayer MoS2: Mixing of Spin-Orbit Coupling and Interlayer Coupling. (2016) (59)
- Benefits of Carrier Pocket Anisotropy to Thermoelectric Performance: The case of $p$-type AgBiSe$_2$ (2015) (59)
- Experimental Identification of Critical Condition for Drastically Enhancing Thermoelectric Power Factor of Two-Dimensional Layered Materials. (2018) (58)
- Electronic structure and thermoelectric properties of layered PbSe-WSe 2 materials (2009) (58)
- Magnetoelectronic effects in pyrochlore Tl 2 Mn 2 O 7 : Role of Tl-O covalency (1997) (58)
- Lattice dynamics of filled skutterudites:La(Fe,Co)4Sb12 (2003) (57)
- Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds (2017) (56)
- Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds (2017) (56)
- High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX2 Compounds. (2019) (56)
- High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides (2015) (55)
- Electronic structure of the complex hydride NaAlH 4 (2004) (55)
- Heavy element doping for enhancing thermoelectric properties of nanostructured zinc oxide (2014) (54)
- Giant piezoelectricity in oxide thin films with nanopillar structure (2020) (54)
- Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials (2020) (54)
- Electronic structure and magnetism in BaMn2As2 and BaMn2Sb2 (2009) (54)
- Thermoelectric transport properties of CaMg 2 Bi 2 , EuMg 2 Bi 2 , and YbMg 2 Bi 2 (2012) (54)
- Favorable Energy Band Alignment of TiO2 Anatase/Rutile Heterophase Homojunctions Yields Photocatalytic Hydrogen Evolution with Quantum Efficiency Exceeding 45.6% (2022) (54)
- Spin ice: magnetic excitations without monopole signatures using muon spin rotation. (2011) (53)
- Potential Thermoelectric Performance from Optimization of Hole-Doped Bi 2 Se 3 (2011) (53)
- Transport and fermiology of the ferromagnetic phase of (A = Ca, Sr, Ba) (1997) (53)
- Microstructure and apatite-forming ability of the MAO-treated porous titanium (2008) (53)
- Innovative fabrication of porous titanium coating on titanium by cold spraying and vacuum sintering (2008) (52)
- Ferromagnetism of Fe3Sn and Alloys (2014) (52)
- Thermoelectric properties of Ni-doped CeFe4Sb12 skutterudites (2012) (52)
- Dielectric Behavior as a Screen in Rational Searches for Electronic Materials: Metal Pnictide Sulfosalts. (2018) (52)
- Thermoelectric properties of n-type SrTiO3 (2016) (51)
- Thermoelectric properties of n-type SrTiO3 (2016) (51)
- Renormalized behavior and proximity of BaCo2As2 to a magnetic quantum critical point (2008) (50)
- Low-temperature deep oxidation of hydrocarbons by metal oxides supported on carbonaceous materials (1995) (50)
- Optical properties of ferroelectric Bi4Ti3O12 (2010) (49)
- Achieving band convergence by tuning the bonding ionicity in n‐type Mg3Sb2 (2019) (48)
- ARPES studies of the electronic structure of LaOFe (P,As) (2009) (48)
- Fermi surface and quasiparticle excitations of Sr2RhO4. (2006) (48)
- Potential thermoelectric performance of hole-doped Cu2O (2013) (47)
- Chapter 5 Theoretical and computational approaches for identifying and optimizing novel thermoelectric materials (2001) (45)
- Carrier compensation in semi-insulating CdTe: First-principles calculations (2008) (45)
- Orbital controlled band gap engineering of tetragonal BiFeO3 for optoelectronic applications (2018) (45)
- Electronic structure and energetics of the tetragonal distortion for TiH 2 , ZrH 2 , and HfH 2 : A first-principles study (2009) (45)
- Competition of spin fluctuations and phonons in superconductivity of ZrZn(2). (2001) (44)
- Intramolecular heterostructured carbon nitride with heptazine-triazine for enhanced photocatalytic hydrogen evolution (2022) (44)
- Competing magnetic ground states in nonsuperconducting Ba(Fe1-xCrx)2As2 as seen via neutron diffraction (2011) (44)
- Native defects and oxygen and hydrogen-related defect complexes in CdTe: Density functional calculations (2008) (43)
- Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6 (2015) (43)
- Electronic and Thermoelectric Properties of CuCoO2 (2007) (43)
- Local density and generalized gradient approximation studies of KNbO3 and BaTiO3 (1995) (42)
- Optimal Bandgap in a 2D Ruddlesden–Popper Perovskite Chalcogenide for Single-Junction Solar Cells (2018) (42)
- Electronic and transport properties of zintl phase AeMg2Pn2, Ae = Ca,Sr,Ba, Pn = As,Sb,Bi in relation to Mg3Sb2 (2013) (42)
- Electronic characteristics of Tl2Ba2CuO6 (1992) (41)
- Chemical disorder and charge transport in ferromagnetic manganites (1997) (41)
- Thermoelectrics: Nanostructuring and more. (2008) (41)
- Room-temperature ferromagnetism in doped face-centered cubic fe nanoparticles. (2006) (41)
- Bottom-up growth of homogeneous Moiré superlattices in bismuth oxychloride spiral nanosheets (2019) (41)
- Reemergence of high-Tc superconductivity in the (Li1-xFex)OHFe1-ySe under high pressure (2017) (41)
- Debye temperatures for hexagonal crystals (1981) (41)
- Electronic structure localization and spin-state transition in Cu-substituted FeSe: Fe1-xCuxSe (2009) (40)
- A magnetic anti-cancer compound for magnet-guided delivery and magnetic resonance imaging (2015) (40)
- Origin of the phase transition in IrTe2: structural modulation and local bonding instability (2013) (40)
- Dynamic Optical Tuning of Interlayer Interactions in the Transition Metal Dichalcogenides. (2017) (40)
- Nesting, spin fluctuations, and odd-gap superconductivity in NaxCoO2.yH2O. (2004) (40)
- Electronic and thermoelectric properties of CoSbS and FeSbS (2013) (40)
- Dynamic Optical Tuning of Interlayer Interactions in the Transition Metal Dichalcogenides. (2017) (40)
- Adsorption of Li on single-layer silicene for anodes of Li-ion batteries. (2018) (40)
- Bond competition and phase evolution on the IrTe2 surface (2014) (40)
- Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg2Bi2 (2017) (39)
- Spin glass and semiconducting behavior in one-dimensional BaFe 2-δ Se 3 (δ≈0.2) crystals (2011) (39)
- Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg2Bi2 (2017) (39)
- Lattice vibrations in La(Ce)Fe4Sb12 and CoSb3: Inelastic neutron scattering and theory (2006) (39)
- Boron–oxygen complex yields n-type surface layer in semiconducting diamond (2019) (39)
- Lattice instabilities and ferroelectricity inAScO3perovskite alloys (2004) (39)
- Optical functions ofKTaO3as determined by spectroscopic ellipsometry and comparison with band structure calculations (2006) (39)
- Anti-site defects and traps in perovskite YAlO3 and LuAlO3: density functional calculations (2007) (38)
- Magnetic and electronic properties of LiMnO 2 s (1997) (38)
- Phonons in doped and undoped BaFe 2 As 2 investigated by inelastic x-ray scattering (2009) (38)
- Perspective: n-type oxide thermoelectrics via visual search strategies (2016) (38)
- Optic phonons and anisotropic thermal conductivity in hexagonal Ge2Sb2Te5 (2016) (38)
- First-principles investigation of MnFe 2 O 4 (2002) (38)
- Perspective: n-type oxide thermoelectrics via visual search strategies (2016) (38)
- Effects of C, Cu, and Be substitutions in superconducting MgB 2 (2001) (37)
- N-Type TaCoSn-Based Half-Heuslers as Promising Thermoelectric Materials. (2019) (37)
- Thermopower of SnTe from Boltzmann Transport Calculations (2010) (37)
- Thermoelectric Properties of Mg 2 ( Ge , Sn ) : Model and Optimization of Z T (2016) (37)
- Electronic Structure and Thermoelectric Properties: PbBi2Te4 and Related Intergrowth Compounds (2010) (37)
- Electronic structure, disconnected Fermi surfaces and antiferromagnetism in the layered pnictide superconductor NaxBa1−xTi2Sb2O (2012) (37)
- Thermoelectric Properties of Mg 2 ( Ge , Sn ) : Model and Optimization of Z T (2016) (37)
- Low-temperature magnetothermal transport investigation of a Ni-based superconductor BaNi2As2: evidence for fully gapped superconductivity. (2008) (37)
- Competing covalent and ionic bonding in Ge-Sb-Te phase change materials (2016) (36)
- Competing covalent and ionic bonding in Ge-Sb-Te phase change materials (2016) (36)
- Adsorption and Formation of Small Na Clusters on Pristine and Double-Vacancy Graphene for Anodes of Na-Ion Batteries. (2017) (36)
- Bonding of H in O vacancies of ZnO (2007) (35)
- Properties of alkaline-earth-filled skutterudite antimonides: A(Fe,Ni)4Sb12 (A=Ca, Sr, and Ba) (2010) (35)
- Ferrimagnetism in EuFe4Sb12 due to the interplay of f-electron moments and a nearly ferromagnetic host. (2007) (35)
- Measurements of spin polarization of epitaxial SrRuO3 thin films (2002) (35)
- 2DEGs at Perovskite Interfaces between KTaO3 or KNbO3 and Stannates (2013) (34)
- Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi (2014) (34)
- bcc cobalt: Metastable phase or forced structure? (1993) (33)
- Thermoelectric properties of p-type cubic and rhombohedral GeTe (2018) (33)
- Understanding the asymmetrical thermoelectric performance for discovering promising thermoelectric materials (2019) (33)
- Thermoelectric Properties of NaxCoO2 and Prospects for Other Oxide Thermoelectrics (2007) (33)
- Thermoelectric Properties of Zintl Phase YbMg2Sb2 (2020) (33)
- Structural stability of single-layer MoS2 under large strain (2015) (33)
- Thermoelectric properties of p-type cubic and rhombohedral GeTe (2018) (33)
- Enhanced Born charges in III-VII, IV-VII 2 , and V-VII 3 compounds (2010) (33)
- Superconductivity and magnetism in YFe2Ge2 (2013) (33)
- Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction (2015) (33)
- Understanding the asymmetrical thermoelectric performance for discovering promising thermoelectric materials (2019) (33)
- Single crystal synthesis and magnetism of the BaLn2O4 family (Ln = lanthanide) (2014) (32)
- Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics (2015) (32)
- Spectroscopic dielectric tensor of monoclinic crystals: CdWO4 (2011) (32)
- Harnessing Topological Band Effects in Bismuth Telluride Selenide for Large Enhancements in Thermoelectric Properties through Isovalent Doping (2016) (32)
- Modulation of Hydrogen Evolution Catalytic Activity of Basal Plane in Monolayer Platinum and Palladium Dichalcogenides (2018) (32)
- Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs (2016) (32)
- Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs (2016) (32)
- Very heavily electron-doped CrSi2 as a high-performance high-temperature thermoelectric material (2012) (31)
- Crystal Structure and Electric Field Gradients of PbZrO3 from Density Functional Calculations (2005) (31)
- Thermal conductivity of single-layer WSe2 by a Stillinger–Weber potential (2017) (31)
- Electronic structure and bond competition in the polar magnet PbVO3 (2005) (31)
- Optical Properties and Electronic Structure of Spinel ZnRh2O4 (2006) (30)
- Pressure evolution of the potential barriers of phase transition of MoS2, MoSe2 and MoTe2. (2016) (30)
- Lorenz number in relation to estimates based on the Seebeck coefficient (2019) (30)
- Near optical isotropy in noncubic SrI2: Density functional calculations (2008) (30)
- Thermoelectric properties of rhodates: layered beta SrRh2O4 and spinel ZnRh2O4 (2007) (30)
- Stability and electronic structure of the complexK2PtCl6-structure hydridesDMH6(D=Mg,Ca,Sr;M=Fe,Ru,Os) (2004) (30)
- Magnetism, Critical Fluctuations and Susceptibility Renormalization in Pd (2003) (30)
- Chemistry and Electronic Structure of Iron-Based Superconductors (2012) (30)
- Electronic Structure of the BaFe$_2$As$_2$ Family of Iron Pnictides (2009) (29)
- Accurate eigenvalues and oscillator strengths for the exponential-cosine screened Coulomb potential (1983) (29)
- Theoretical search for Chevrel-phase-based thermoelectric materials (1998) (29)
- Electronic structure of HgBa2CuO4 (1993) (29)
- Electronic Structure and Fermiology of Sr$_3$Ru$_2$O$_7$ (2000) (29)
- Electron-phonon superconductivity in LaNiPO (2008) (29)
- Magnetism and electronic structure of La2ZnIrO6 and La2MgIrO6: Candidate Jeff = 1/2 Mott insulators (2013) (29)
- Electronic structure and heavy-fermion behavior in LiV 2 O 4 (1999) (28)
- Itinerant antiferromagnetism in BaCr 2 As 2 : Experimental characterization and electronic structure calculations (2009) (28)
- Role of A-Site and B-Site Ions in Perovskite Ferroelectricity (2006) (28)
- Electronic structure and electron-phonon coupling in the 18K superconductor Y2C3 (2004) (28)
- Density-functional description of spinelZnFe2O4 (2001) (28)
- Transport, Thermal, and Magnetic Properties of the Narrow-Gap Semiconductor CrSb2 (2012) (27)
- Density functional methods for the magnetism of transition metals: SCAN in relation to other functionals (2019) (27)
- Spin fluctuations and the magnetic phase diagram of ZrZn 2 (2003) (27)
- Wet-chemistry hydrogen doped TiO2 with switchable defects control for photocatalytic hydrogen evolution (2021) (27)
- Lattice instabilities in (Pb,Cd)TiO3 alloys (2002) (27)
- Bi0.5Sb1.5Te3-based films for flexible thermoelectric devices (2020) (27)
- Calculations of dynamical properties of skutterudites: Thermal conductivity, thermal expansivity, and atomic mean-square displacement (2010) (26)
- Structural Instability of Epitaxial (001) BiFeO3 Thin Films under Tensile Strain (2014) (26)
- Electronic structure of calcium hexaboride within the weighted density approximation (2004) (26)
- Antiferromagnetism in a technetium oxide. Structure of CaTcO3. (2011) (26)
- Superconductivity and magnetism in 11-structure iron chalcogenides in relation to the iron pnictides (2012) (26)
- Electronic Properties, Screening and Efficient Carrier Transport in NaSbS2 (2017) (26)
- Layered Tl2O: a model thermoelectric material (2019) (26)
- TransOpt. A code to solve electrical transport properties of semiconductors in constant electron–phonon coupling approximation (2021) (26)
- BaT2As2 single crystals (T = Fe, Co, Ni) and superconductivity upon Co-doping (2009) (26)
- Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF (2011) (25)
- Electronic structure of Ba ( Fe , Ru ) 2 As 2 and Sr ( Fe , Ir ) 2 As 2 alloys (2009) (25)
- Electronic structure and bonding of the Cu/W(001) surface alloy (1989) (25)
- Transport and optical properties of heavily hole doped semiconductors BaCu2Se2 and BaCu2Te2 (2011) (25)
- Multi Band Gap Electronic Structure in CH3NH3PbI3 (2019) (25)
- Dielectric response of oxides in the weighted density approximation (2000) (25)
- Properties of ordered intermetallic alloys: first-principles and approximate methods (1993) (24)
- Spin-Lattice Coupling and Superconductivity in Fe Pnictides (2010) (24)
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- Surface electronic structure of Sr2RuO4 (2001) (21)
- Properties of the ferroelectric visible light absorbing semiconductors: Sn2P2S6 and Sn2P2Se6 (2017) (21)
- 3D Printing of Solution‐Processable 2D Nanoplates and 1D Nanorods for Flexible Thermoelectrics with Ultrahigh Power Factor at Low‐Medium Temperatures (2019) (21)
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- Nanocrystalline gold with small size: inverse Hall–Petch between mixed regime and super-soft regime (2020) (15)
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- Infrared absorption and visible transparency in heavily doped p-type BaSnO3 (2017) (15)
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- Temperature and pressure dependence of the Fe-specific phonon density of states in Ba ( Fe 1 − x Co x ) 2 As 2 (2009) (15)
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- Origin of ferromagnetism in Cs2AgF4: importance of Ag - F covalency (2006) (14)
- A resonant photoemission study of YNi2B2C (1994) (14)
- Electronic structure and the origin of the high ordering temperature in SrRu 2 O 6 (2015) (14)
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- Thermoelectrics by Computational Design: Progress and Opportunities (2021) (13)
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- Using gapped topological surface states of Bi2Se3 films in a field effect transistor (2017) (13)
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- Stress and pressure within the linearized-augmented plane-wave method (2002) (12)
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- Pressure-dependent electronic structure and doping in HgBa2Ca2Cu3O8+δ (1994) (12)
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- Stability, electronic structures and thermoelectric properties of binary Zn–Sb materials (2016) (12)
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- The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting (2017) (12)
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- Hydrogen in anion vacancies of semiconductors (2009) (11)
- A tight-binding investigation of the NaxCoO2 Fermi surface (2004) (11)
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- First-principles investigation of MnFe2O4 (2002) (11)
- Fermi surface and van Hove singularities in the itinerant metamagnet Sr 3 Ru 2 O 7 (2008) (11)
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- Nonlocal density functionals and the linear response of the homogeneous electron gas (1997) (11)
- La-Driven Morphotrophic Phase Boundary in the Bi(Zn1/2Ti1/2)O3–La(Zn1/2Ti1/2)O3–PbTiO3 Solid Solution (2012) (11)
- Br-Induced P-Poor Defective Nickel Phosphide for Highly Efficient Overall Water Splitting (2022) (11)
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- Local dynamics and structure of pure and Ta substituted ( K 1 − x Na x ) NbO 3 from first principles calculations (2010) (11)
- Thermoelectric properties of AMg$_{2}$X$_{2}$, AZn$_{2}$Sb$_{2}$ (A $=$ Ca, Sr, Ba; X $=$ Sb, Bi), and Ba$_{2}$ZnX$_{2}$ (X $=$ Sb, Bi) Zintl compounds. (2017) (10)
- Multiband superconductivity of Ta_{4}Pd_{3}Te_{16} from Te p states (2014) (10)
- New class of intermetallic borocarbide superconductors: Electron-phonon coupling and physical parameters (1995) (10)
- Ion exchange-prepared NaSbSe2 nanocrystals: electronic structure and photovoltaic properties of a new solar absorber material (2017) (10)
- Thermoelectric properties of layered NaSbSe2 (2018) (10)
- Crystal structure and cation off-centering in Bi(Mg 1 / 2 Ti 1 / 2 )O 3 (2012) (10)
- Ultralow Thermal Conductivity in Cs–Sb–Se Compounds: Lattice Instability versus Lone-Pair Electrons (2020) (10)
- Identification of a potential superhard compound ReCN (2015) (10)
- Vibrational signatures of OTe and OTe–VCd in CdTe: A first-principles study (2010) (10)
- Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles (2018) (10)
- Ion exchange-prepared NaSbSe2 nanocrystals: electronic structure and photovoltaic properties of a new solar absorber material (2017) (10)
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- Superconductivity of boro-nitrides (1995) (10)
- Complex magnetism and strong electronic correlations in Ce$_{2}$PdGe$_{3}$ (2014) (10)
- Thermoelectric properties of layered NaSbSe2 (2018) (10)
- Electronic structure and magnetism of Sr3Ru2O7 (2001) (10)
- Storage of Na in layered graphdiyne as high capacity anode materials for sodium ion batteries (2019) (10)
- Thermoelectric properties of AMg$_{2}$X$_{2}$, AZn$_{2}$Sb$_{2}$ (A $=$ Ca, Sr, Ba; X $=$ Sb, Bi), and Ba$_{2}$ZnX$_{2}$ (X $=$ Sb, Bi) Zintl compounds. (2017) (10)
- Itinerant magnetism in doped semiconducting β-FeSi2 and CrSi2 (2013) (9)
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- Orbital symmetry of Ba(Fe1 xCox)2As2 superconductors probed with x-ray absorption spectroscopy (2010) (9)
- Achieving high-performance p-type SmMg2Bi2 thermoelectric materials through band engineering and alloying effects (2020) (9)
- Electronic structure of TlGeI3, TlSnI3, and TlPbI3: Potential use for spectroscopic radiation detection (2012) (9)
- Sn2Se3: A conducting crystalline mixed valent phase change memory compound (2017) (9)
- Vacancy ordering induced topological electronic transition in bulk Eu2ZnSb2 (2021) (9)
- Frustrated antiferromagnetism in the Sr2YRuO6 double perovskite (2003) (9)
- First principles study of O defects in CdSe (2012) (9)
- Chemical, magnetic and charge ordering in the system hematite–ilmenite, Fe2O3–FeTiO3 (2005) (9)
- New stable ternary alkaline-earth metal Pb(II) oxides: Ca /Sr /BaPb 2 O 3 and BaPbO 2 (2017) (9)
- Local and nonlocal density functional studies of FeCr (1994) (9)
- Achieving high-performance p-type SmMg2Bi2 thermoelectric materials through band engineering and alloying effects (2020) (9)
- Structural instability and magnetism of superconducting KCr3As3 (2019) (9)
- Magnetism and Electronic Structure in ZnFe$_2$O$_4$ and MnFe$_2$O$_4$ (2001) (9)
- Defect Engineering for Realizing p-Type AgBiSe2 with a Promising Thermoelectric Performance (2020) (9)
- Predicted superconductivity of Ni2VAl and pressure dependence of superconductivity in Ni2NbX (X = Al, Ga and Sn) and Ni2VAl (2016) (9)
- Molecular Bridge Thermal Diode Enabled by Vibrational Mismatch (2019) (8)
- Properties of the ferroelectric visible light absorbing semiconductors : Sn 2 P 2 S 6 and Sn 2 P 2 Se 6 (2017) (8)
- Phonons in La2CuO4: Local density calculations (1996) (8)
- Electronic structure, small polaron, and F center in LiCaAlF6 (2012) (8)
- Prediction of nontrivial band topology and superconductivity in M g2Pb (2017) (8)
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- Band structure of Bi2Sr2CuO6: Strong effects due to structural modulation (1995) (8)
- Pb5Sb8S17 quantum dot‐sensitized solar cells with an efficiency of 6% under 0.05 sun: Theoretical and experimental studies (2018) (8)
- Three Dimensional Magnetism and Coupling to the Conduction Electrons in PdCrO2 (2011) (8)
- Positron potential and wave function in LaFeAsO (2008) (8)
- Electronic structure of Pb and non-Pb based phosphate scintillators (2006) (8)
- Collective-Goldstone-mode-induced ultralow lattice thermal conductivity in Sn-filled skutterudite SnFe4Sb12 (2018) (8)
- Itinerant Magnetism in Metallic CuFe2Ge2 (2014) (8)
- Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations (2021) (8)
- High Temperature Magnetic Ordering in the 4 d Perovskite SrTcO _ { 3 } (2014) (8)
- Interplay of electronic, magnetic, and structural properties of GdB6 from first principles (2019) (8)
- Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO3, NiSeO3, CoTeO3 , and NiTeO3 (2019) (7)
- Core electron spectroscopic studies of YNi2B2C (1996) (7)
- Origin of the 20-electron structure of Mg 3 MnH 7 : Density functional calculations (2005) (7)
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- Resistivity, carrier trapping, and polarization phenomenon in semiconductor radiation detection materials (2012) (7)
- Planewave Pseudopotential Methods (1994) (7)
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- Electronic structure of Cr-doped SrRuO3 : Supercell calculations (2006) (7)
- Tuning from frustrated magnetism to superconductivity in quasi-one-dimensional KCr3As3 through hydrogen doping (2019) (7)
- Electronic structure and weak itinerant magnetism in metallic Y2Ni7 (2015) (7)
- Properties of the antiferromagnetic selenite MnSeO3 and its non-magnetic analogue ZnSnO3 from first principles calculations (2017) (7)
- Challenge of unravelling magnetic properties of LaFeAsO (2008) (7)
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- Synthesis and Crystal Structure of the Layered Lanthanide Oxychlorides Ba3Ln2O5Cl2. (2018) (7)
- Copper(I)-Based Flexible Organic-Inorganic Coordination Polymer and Analogues: High-Power Factor Thermoelectrics. (2020) (7)
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- Stability and electronic structure of the complex K$_2$PtCl$_6$ structure-type hydrides (2004) (6)
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- Electronic structure of doped Sr2VO4 (1991) (6)
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- Antiferromagnetic spin fluctuations and proximity to a quantum critical point in Sr 2 Ru O 4 (2005) (6)
- Kinetic-energy-stabilized superconductivity in cuprates (2006) (6)
- Optical and Electronic Properties of Doped $p$-type CuI: Explanation of Transparent Conductivity from First Principles (2018) (6)
- Composition-dependent induced spin and orbital magnetic moments of Ir in Co-Ir alloys from x-ray magnetic circular dichroism (2006) (6)
- Improved thermoelectric transport properties of Ge4Se3Te through dimensionality reduction (2021) (6)
- Ferromagnetism of Fe 3 Sn and Alloys (2014) (6)
- Pressure-driven significant phonon mode softening and robust superconductivity in layered germanium phosphide (2020) (6)
- Multiband Semimetallic Electronic Structure of Superconducting Ta2PdSe5 (2015) (5)
- Magnetism and electronic structure of La 2 ZnIrO 6 and La 2 MgIrO 6 : Candidate J eff = 12 Mott insulators (2013) (5)
- Electron Cloud Density Localized Graphitic Carbon Nitride with Enhanced Optical Absorption and Carrier Separation towards Photocatalytic Hydrogen Evolution (2022) (5)
- Prediction of superconductivity and topological aspects in single-layer β−Bi2Pd (2020) (5)
- Bonding in Zintl phase hydrides: Density functional calculations for SrAlSiH, SrAl 2 H 2 , SrGa 2 H 2 , and BaGa 2 H 2 (2008) (5)
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- Identification of oxygen defects in CdTe revisited: First-principles study (2014) (5)
- Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers (2018) (5)
- Fully gapped superconductivity in Ni-pnictide superconductors BaNi2As2 and SrNi2P2 (2011) (5)
- Efficient Discovery of Optimal N-Layered TMDC Hetero-Structures (2018) (5)
- High magnetocrystalline anisotropy in oxides with near cubic local environments (2013) (5)
- Efficient Discovery of Optimal N-Layered TMDC Hetero-Structures (2018) (5)
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- Multiband superconductivity ofTa4Pd3Te16from Tepstates (2014) (5)
- Low thermal conductivity and high thermoelectric performance via Cd underbonding in half-Heusler PCdNa (2022) (5)
- Multigap electron-phonon superconductivity in the quasi-one-dimensional pnictide K2Mo3As3 (5)
- Interplay of local moment and itinerant magnetism in cobalt-based Heusler ferromagnets: Co2TiSi, Co2MnSi and Co2FeSi (2020) (5)
- Lattice Dynamics of Filled Skutterudites (2002) (5)
- Evidence for proximity of YFe 2 Si 2 to a magnetic quantum critical point (2016) (5)
- Absence of superconductivity in hole-doped BaFe 2 − x Cr x As 2 single crystals (2009) (5)
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- First principles and molecular dynamics study of Li wetting and diffusion on W surfaces (2020) (5)
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- First-principles investigation of Nitrosyl formation in zirconia (2012) (5)
- Ferromagnetism in ZrFe12−xAlx and HfFe12−xAlx (x = 6.0, 6.5, 7.0) (2012) (5)
- Origin of giant electric-field-induced strain in faulted alkali niobate films (2022) (4)
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- Fe b 20 02 Thermoelectric power of MgB (2022) (0)
- Author Correction: Giant optical anisotropy in a quasi-one-dimensional crystal (2021) (0)
- Lattice strain and band overlap of the thermoelectric composite <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Mg</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Si</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mtext>−</mml:mtext><mml:mi>x</mml:mi></mml:mrow> (2022) (0)
- First-Principles Study on Thermoelectric Properties of Penta-Sb2x (X=Si, Ge, Sn) Monolayers (2022) (0)
- MOLECULAR MECHANICS AND QUANTUM CHEMISTRY STUDY OF FERROCENE AND COBALTOCENE (2009) (0)
- Severe Fermi surface reconstruction at a metamagnetic transition in Ca2-xSrxRuO4 0.2 (2014) (0)
- 3 1 A ug 2 00 4 Optical Properties and Correlation Effects in Na (2022) (0)
- Intrinsic thermal stability enhancement in n-type Mg3Sb2 thermoelectrics toward practical applications (2023) (0)
- Lattice Effects In CMR Manganites (1998) (0)
- Thermoelectric power of MgB 2 (cid:192) x Be x (2002) (0)
- Polar Behavior in a Magnetic Perovskite Via A-Site Disorder (2007) (0)
- Cautionary Note on the use of Focussed Ion Beam ( FIB ) Sectioning as a Technique for Characterising Oxidation Damage in Ni-based Superalloys (2016) (0)
- Author Correction: Active learning for accelerated design of layered materials (2022) (0)
- Time-dependent crack growth in a coarse-grained Ni-based superalloy RR1000 (2013) (0)
- On the ground state of TiO2 as predicted by all electron density functional calculations in relation to experiment (2017) (0)
- Development of Porous Crystalline Materials for Selective Binding of O2 from Air (2022) (0)
- Volumetric Properties of Mannitol in Aqueous Solutions of 1-Propanol and 2-Propanol (2010) (0)
- Screening for potential thermoelectric materials using an electronic fitness function (2018) (0)
- Thermoelectric properties of monoclinic NaSbSe 2 (2018) (0)
- Ba2TeO: A New Layered Oxytelluride. (2015) (0)
- Electronic and Structural Requisites for Catalytic Activity in Copper-Ruthenium Catalysts (1994) (0)
- Single crystal growth and properties of two layered oxytellurides (2015) (0)
- Thermoelectric properties of Mg$_{\mathrm{2}}$(Ge, Sn) solid solutions (2016) (0)
- Reemergence of high-Tc superconductivity in the (Li1-xFex)OHFe1-ySe under high pressure (2018) (0)
- Unconventional superconductivity near frustrated orders in quasi-one-dimensional CrAs based systems (2019) (0)
- KCo$_2$As$_2$: A New Portal for the Physics of High-Purity Metals (2022) (0)
- University of Birmingham Cautionary note on use of focused ion beam sectioning as technique for characterising oxidation damage in Ni based superalloys (2016) (0)
- 3 0 O ct 2 00 6 Optical properties and magnetic field-induced phase transitions in the ferroelectric state of Ni 3 V 2 O (2008) (0)
- Enabling macroscopic superlubricity in TaC/a-C nanocomposite film by atomic-level Au (2023) (0)
- Predictions and Syntheses of Thermoelectric Materials of Silicon Based Clathrates I (2001) (0)
- First-principles calculations of novel materials (2015) (0)
- Self-assemble Au@amorphous-C/fullerene-like-C core-shell nanocomposite film with near-elastic response (2022) (0)
- Abstract 5570: Targeted drug delivery system and magnetic resonance imaging with intrinsic ferromagnetic nano-particle compound. (2013) (0)
- Thermoelectric properties of Mg 2 (Ge, Sn) solid solutions (2016) (0)
- Spatially Confined PdHx Metallenes by Tensile Strained Atomic Ru Layers for Efficient Hydrogen Evolution. (2023) (0)
- Molecular Dynamics Study of the Tensile Properties of Gold Nanocrystalline Films Irradiated by Gallium Ions (2023) (0)
- Author Correction: Active learning for accelerated design of layered materials (2022) (0)
- Electronic Structure and Superconductivity in NAxCoO2 YH2O (2005) (0)
- First-Principles Study of the Jahn-Teller Distortion in the Ti$_{1-X}$V$_{X}$H$_{2}$ and Zr$_{1-X}$Nb$_{x}$H$_{2}$ Alloys (2008) (0)
- Structure and Properties of Sn 2 Se 3 , a mixed valent tin selenium compound (2017) (0)
- Common lines in the rest-frame absorption-line spectra of QSOs? (1985) (0)
- X-ray Magnetic Circular Dichroism Investigation of Fe Valence Ordering in Multiferroic LuFe$_2$O$_4$ (2007) (0)
- Effect of pressure on the tetragonal distortion in TiH$_{2}$: a first-principles study (2009) (0)
- Magnetic and electronic properties of tetragonal GeNFe3 (2020) (0)
- Ferromagnetism in a Semiconductor with Mobile Carriers via Low-Level Nonmagnetic Doping (2021) (0)
- O ct 2 01 5 Electronic Structure , Transport and Phonons of SrAg Ch F ( Ch = S , Se , Te ) : Bulk Superlattice Thermoelectrics (2018) (0)
- Madelung constants for layer compounds (1984) (0)
- Properties of the Magnetic Hydride YFe 2 H 4 from First Principles Calculations (2003) (0)
- Interior Melting of Rapidly Heated Gold Nanoparticles. (2021) (0)
- Effects of pnictogen and metal substitutions in La-filled skutterudites: electronic and phonon properties (2000) (0)
- Structural distortions in double perovskite ferro-magnets. The cases of Sr_2FeMoO 6 and Ca_2FeMoO_6 (2001) (0)
- Mean square atomic displacements of LaFe$_4$Sb$_{12}$ (2005) (0)
- Huge Magnetocrystalline Anisotropy in UMn$_2$Ge$_2$ (2015) (0)
- First Principles Investigation of Novel Ferroelectric Perovskite Alloys Based on A‐site Substitution (2003) (0)
- Effect of $A$-site size difference on polar behavior in $M$BiScNbO$_6$ ($M$=Na, K, and Rb) perovskite: Density functional calculations (2011) (0)
- Three Dimensional Magnetism in Na$_x$CoO$_2$ (2005) (0)
- In situ Angle-resolved Photoemission Studies of Epitaxial SrRuO$_{3}$ Thin Films (2010) (0)
- Spin Orbit Induced Electronic Structure and Magnetotransport in WTe$_2$ (2016) (0)
- Magnetism and magnetoelastic coupling in layered ruthenates (2001) (0)
- Explanation of the Electronic Transition in ZrTe$_5$ and HfTe$_5$ (2017) (0)
- Anomalous frequency dependent diamagnetism in metal silicide (2016) (0)
- Efficient screening of thermoelectric materials from transport calculations (2017) (0)
- 2 Density Functional Theory and Applications to Transition Metal Oxides (2012) (0)
- Thermoelectric Properties and Electronic Structure of the Cage Compounds A2BaCu8Te10 (A: K, Rb, Cs): Systems with Low Thermal Conductivity. (2001) (0)
- Possible Exotic Magnetism in the Anti-Perovskite Nitride Cr$_{3}$PtN (2008) (0)
- Electronic Structure, Magnetism and Spin-Fluctuations in Fe-As Based Superconductors (2008) (0)
- Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction (2018) (0)
- CrSb 2 : A Spin=1/2 Heisenburg Chain? (2004) (0)
- Intermixing in Fe/Cr (001) multilayers: Density functional calculations (1997) (0)
- Using First Principles Calculations to Find New Thermoelectrics (1999) (0)
- Electron scattering channels in GaAs: A fully first-principles study of electron transport (2016) (0)
- Orthorhombic to monoclinic phase transition in NbNiTe2 (2019) (0)
- Single-layer $\beta$-Bi$_{2}$Pd: a phonon-mediated 2D topological superconductor (2020) (0)
- Non-Fermi surface nesting driven commensurate magnetic ordering in Fe-doped Sr$_{\mathrm{2}}$RuO$_{\mathrm{4}}$. (2017) (0)
- The influence of band structure on the thermoelectric performance of lanthanum telluride (2010) (0)
- Transport and Thermoelectric Properties of Penta-Sb2X Monolayers (2023) (0)
- Electron itinerancy and Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO$_{0.89}$F$_{0.11}$ Iron-Oxypnictides (2009) (0)
- Density Functional Studies of Magnetic Ordering, Lattice Distortion, and TRansport in Manganites (2002) (0)
- First principles calculations of the interactions of a filling atom with its neighboring atoms in a skutterudite (LaFe4Sb12) (2011) (0)
- Why is the Curie temperature of Co2FeSi so high (2019) (0)
- Polar Behavior of Double Perovskites BiPbZnNbO$_6$ and BiSrZnNbO$_6$: A First Principles Study (2010) (0)
- Spin Stability and Low-Lying Excitations in Sr2RuO4 (2004) (0)
- ARPES Study of the Electronic Structure of the Fe Pnictides (2009) (0)
- Prediction of a low band gap oxide ferroelectric (2011) (0)
- Structural transition and doping induced superconductivity in IrTe$_2$ (2014) (0)
- Magnetism in Na-illed Fe-based (2015) (0)
- The Importance of Complex Electronic Structures in Thermoelectric Materials (2015) (0)
- Anomalous structural behavior and electronic structure inZrBe2Hx: Density functional calculations (2007) (0)
- Bonding instability induced Surface Insulating State in IrTe$_{2}$ (2014) (0)
- Final Report: LiCaAIF6:Eu Scintillator Family Neutron Detection (2015) (0)
- Reply to Comment on "Spin Ice: Magnetic Excitations without Monopole Signatures using Muon Spin Rotation" (2012) (0)
- The Role of Surfactants on Cloud Formation: Surfactants in PM1 Aerosols from Urban to Remote Regions and Correlations with Cloud Occurrence (2019) (0)
- High pressure route to high-Tc superconductivity in the FeSe-based materials (2018) (0)
- Identification and properties of the non-cubic phase of Mg$_{\mathrm{2}}$Pb. (2017) (0)
- Fundamental physics of ferroelectrics 2003 : Williamsburg, Virginia 2-5 February 2003 (2003) (0)
- Problems in the treatment of transition metal magnetism with the SCAN meta-GGA functional (2019) (0)
- Unusual oxygen doping behavior in Hg cuprates and its pressure dependence (1995) (0)
- p-type transparent conducting chalcogenides (2015) (0)
- Correlation in Metallic Copper Oxide Superconductors: How Large is it? (1990) (0)
- Publisher’s Note: Comment on “Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe” [Phys. Rev. Lett. 102 , 209601 (2009)] (2009) (0)
- Transport in Old and New Thermoelectric Materials (2012) (0)
- First Principles Investigation of H in CdTe (2008) (0)
- Electronic Structure and Magnetic Properties of CsFe$_2$Sb$_2$ (2010) (0)
- ARPES studies of the iron pnictide superconductors (2010) (0)
- First principles investigation of Bi6Ti4O17: oxide ferroelectricity with a low band gap (2010) (0)
- Erratum: Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O3[Phys. Rev. B86, 064105 (2012)] (2012) (0)
- Vibrational Properties of Skutterudites: Comparison between theory and inelastic neutron scattering measurements. (2004) (0)
- Fermiology and Superconductivity of LaNiGa$_2$ (2013) (0)
- Screening for potential thermoelectric materials using an electronic fitness function (2018) (0)
- Doping dependence of the magnitude of fluctuating spin moments in the normal state of the pnictide superconductor Sr(Fe1−xCox)2As2 inferred from photoemission spectroscopy (2019) (0)
- GaAs Total Energy Tight Binding Hamiltonians for use in Molecular Dynamics (1990) (0)
- Transport, Thermal, and Magnetic Properties of the Quasi-One-Dimensional Narrow-Gap Semiconductor CrSb2 (2012) (0)
- Correction to La-Driven Morphotropic Phase Boundary in the Bi(Zn1/2Ti1/2)O3–La(Zn1/2Ti1/2)O3–PbTiO3 Solid Solution (2013) (0)
- First-Principles Investigations of Pb Anti-Site Defects in PbZrO$_3$ and Pb(Zr, Ti)O$_3$ Perovskites (2008) (0)
- Prediction of ternary alkaline-earth metal Sn(II) and Pb(II) chalcogenide semiconductors (2020) (0)
- The solid state as a fabric for intertwining chemical bonding, electronic structure and magnetism (2012) (0)
- Thermoelectric properties of monoclinic NaSbSe 2 (2018) (0)
- Metals Near Quantum Critical Points: Sc_3In, Ni_3Al, Ni_3Ga and Ni_3In (2003) (0)
- Electronic structure of electron doped BaAs$_{2}$Fe$_{2}$ superconductors revealed by Angle Resolved Photoemission (2009) (0)
- International Workshop on Iron Related high-Tc Superconductors Abstract Form 4. Electronic Structure, Magnetism and Pairing in Fe-Based Superconductors (2009) (0)
- Observation of particle-hole asymmetry and other abnormalities in the normal state of a prototypical electron-doped pnictide high-temperature superconductor. (2017) (0)
- Large Seebeck Effect in CrSb$_{2}$ Single Crystals (2013) (0)
- Phonon Anharmonicity in PbTe Thermoelectrics (2012) (0)
- High thermoelectric performance of layered <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>LaAg</mml:mi><mml:mi>X</mml:mi><mml:mi mathvariant="normal">O</mml:mi><mml:mo> </mml:mo><mml:mo>(</mml:mo><mml:mi>X</mml:mi><mml:mo>=</mml:mo><mml:mi>Se</mml:mi><mml:mo>,</mml:mo><mml:mi>Te</ (2023) (0)
- Molecular Dynamics Simulation of Bubble Growth under Surface of Tungsten under Helium Irradiation (2022) (0)
- Mixed Metal Oxide Interfaces: An Experimental and Theoretical Assessment of Secondary Metal Influences in Metal Impregnated Aluminas (1994) (0)
- Towards a First-Principles Method for Calculating Thermal Conductivity (2010) (0)
- Disorder and Itinerant Magnetism in Full Heusler Pd2TiIn (2021) (0)
- Energy barriers in PZT at the MPB (2004) (0)
- Electronic structure and lattice distortion in PbMg$_{1/3}$Nb$_{2/3}$O$_3$ (2006) (0)
- Vertical Strain Engineering of Epitaxial La2/3Sr1/3MnO3 Thin Films by Spontaneously Embedding ZrO2 Nanopillar Arrays (2020) (0)
- Why do filled skutterudites have low thermal conductivity (1999) (0)
- Erratum: Evidence for three-dimensional Fermi-surface topology of the layered electron-doped iron superconductor Ba(Fe1―xCox)2As2 [Phys. Rev. B 79, 220503(R) (2009)] (2010) (0)
- Electronic Dielectric Response and Effective Charges for Ferroelectrics in the Weighted Density Approximation (2000) (0)
- 0 10 81 76 v 1 1 0 A ug 2 00 1 Magnetism and Electronic Structure in ZnFe 2 O 4 and MnFe (2022) (0)
- Single crystal growth and properties of two layered oxytellurides (2015) (0)
- Ba2TeO: A New Layered Oxytelluride. (2015) (0)
- Low-temperature thermal transport properties of BaNi$_2$As$_2$ (2009) (0)
- Sn(II)-containing phosphates as promising p-type optoelectronic semiconductors (2019) (0)
- Ferroelectricity and Dipolar Interactions in Mesocrystalline NH4TiOF3 (2013) (0)
- As 2 superconductors probed with x-ray absorption spectroscopy (2010) (0)
- Annual Report on the Investigation of the LiCaAlF6:Eu Scintillator Family for Next Generation Neutron Detection (2013) (0)
- CrSb$_{2}$ is a S=1 Quasi-one-Dimensional Antiferromagnet (2010) (0)
- Why do half-Heusler materials often have large thermoelectric power factor? (2018) (0)
- Consequences of ionic and covalent bonding in Ge-Sb-Te phase change materials (2016) (0)
- Optical properties of BiFeO$_3$ thin films and single crystal (2008) (0)
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