# Alex Zunger

#25,944

Most Influential Person Now

American physicist

## Alex Zunger's AcademicInfluence.com Rankings

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Physics

## Alex Zunger's Degrees

- PhD Physics Tel Aviv University
- Bachelors Physics Tel Aviv University

## Why Is Alex Zunger Influential?

(Suggest an Edit or Addition)According to Wikipedia, Alex Zunger is a theoretical physicist, research professor, at the University of Colorado Boulder. He has authored more than 150 papers in Physical Review Letters and Physical Reviews B Rapid Communication, has an h-index over 150, number of citations over 113,000 . He co-authored one of the top-five most cited papers ever to be published in the Physical Review family in its over 100 years' history.

## Alex Zunger's Published Works

### Published Works

- Self-interaction correction to density-functional approximations for many-electron systems (1981) (13994)
- Special quasirandom structures. (1990) (2115)
- Intrinsic n-type versus p-type doping asymmetry and the defect physics of ZnO (2001) (1618)
- Defect physics of the CuInSe 2 chalcopyrite semiconductor (1998) (1069)
- Zinc-blende-wurtzite polytypism in semiconductors. (1992) (852)
- Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs (2008) (805)
- CORRIGENDUM: Momentum-space formalism for the total energy of solids (1979) (778)
- Theory of the band-gap anomaly in AB C 2 chalcopyrite semiconductors (1984) (768)
- Origins of coexistence of conductivity and transparency in SnO(2). (2002) (744)
- Electronic properties of random alloys: Special quasirandom structures. (1990) (656)
- Calculated natural band offsets of all II–VI and III–V semiconductors: Chemical trends and the role of cation d orbitals (1998) (638)
- Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides. (2007) (498)
- Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors (2005) (493)
- Effects of Ga addition to CuInSe2 on its electronic, structural, and defect properties (1998) (484)
- Predicted band-gap pressure coefficients of all diamond and zinc-blende semiconductors: Chemical trends (1999) (474)
- Giant and composition-dependent optical bowing coefficient in GaAsN alloys. (1996) (441)
- Electronic structure of the ternary chalcopyrite semiconductors CuAls2, CuGaS2, CuInS2, CuAlse2, CuGaSe2, and CuInSe2 (1983) (422)
- Band offsets and optical bowings of chalcopyrites and Zn‐based II‐VI alloys (1995) (419)
- Role of metal d states in II-VI semiconductors. (1988) (416)
- Solving Schrödinger’s equation around a desired energy: Application to silicon quantum dots (1994) (412)
- A phenomenological model for systematization and prediction of doping limits in II–VI and I–III–VI2 compounds (1998) (393)
- Origins of the p-Type Nature and Cation Deficiency in Cu2O and Related Materials (2007) (376)
- First-principles calculation of band offsets, optical bowings, and defects in CdS, CdSe, CdTe, and their alloys (2000) (373)
- COMPARISON OF TWO METHODS FOR DESCRIBING THE STRAIN PROFILES IN QUANTUM DOTS (1997) (371)
- Hidden spin polarization in inversion-symmetric bulk crystals (2014) (364)
- Identification of potential photovoltaic absorbers based on first-principles spectroscopic screening of materials. (2012) (361)
- Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation:Fitted elemental-phase Reference Energies (FERE) (2012) (358)
- Pseudopotential calculations of nanoscale CdSe quantum dots. (1996) (350)
- Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS (2012) (349)
- Practical doping principles (2003) (338)
- Theory of electronic structure evolution in GaAsN and GaPN alloys (2001) (331)
- A new method for diagonalising large matrices (1985) (329)
- Effects of Na on the electrical and structural properties of CuInSe2 (1999) (327)
- Self-assembled quantum dots in a nanowire system for quantum photonics. (2013) (321)
- Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys. (1987) (317)
- n -type doping of CuIn Se 2 and CuGa Se 2 (2005) (302)
- Theoretical interpretation of the experimental electronic structure of lens shaped, self-assembled InAs/GaAs quantum dots (2000) (302)
- Anomalous grain boundary physics in polycrystalline CuInSe2: the existence of a hole barrier. (2003) (296)
- Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds. (2014) (293)
- Electronic Structure Pseudopotential Calculations of Large (.apprx.1000 Atoms) Si Quantum Dots (1994) (287)
- Valence band splittings and band offsets of AlN, GaN, and InN (1996) (283)
- Accurate prediction of defect properties in density functional supercell calculations (2009) (283)
- Inverse Design of High Absorption Thin‐Film Photovoltaic Materials (2013) (280)
- Light- and bias-induced metastabilities in Cu(In,Ga)Se2 based solar cells caused by the (VSe-VCu) vacancy complex (2006) (279)
- Size-Dependent Spectroscopy of InP Quantum Dots (1997) (278)
- Stabilization of Ternary Compounds via Ordered Arrays of Defect Pairs (1997) (274)
- Bond lengths around isovalent impurities and in semiconductor solid solutions (1984) (270)
- Optical properties of hexagonal boron nitride (1976) (267)
- Switching a normal insulator into a topological insulator via electric field with application to phosphorene. (2015) (264)
- n-type doping of oxides by hydrogen (2002) (255)
- Extracting E versus k ⃗ effective band structure from supercell calculations on alloys and impurities (2012) (251)
- Polaronic Hole Localization and Multiple Hole Binding of Acceptors in Oxide Wide-Gap Semiconductors (2009) (249)
- Magnetism without magnetic ions: percolation, exchange, and formation energies of magnetism-promoting intrinsic defects in CaO. (2006) (248)
- Dielectric constants of silicon quantum dots. (1994) (247)
- Localization and percolation in semiconductor alloys: GaAsN vs GaAsP. (1996) (243)
- MANY-BODY PSEUDOPOTENTIAL THEORY OF EXCITONS IN INP AND CDSE QUANTUM DOTS (1999) (240)
- Electronic and structural anomalies in lead chalcogenides (1997) (240)
- Cu-In Halide Perovskite Solar Absorbers. (2016) (238)
- Evolutionary approach for determining first-principles hamiltonians (2005) (235)
- Spatial correlations in GaInAsN alloys and their effects on band-gap enhancement and electron localization. (2001) (233)
- Pseudopotential calculation of the excitonic fine structure of million-atom self-assembledIn1−xGaxAs/GaAsquantum dots (2003) (230)
- Efficient cluster expansion for substitutional systems. (1992) (229)
- Cluster-doping approach for wide-gap semiconductors: the case of p-type ZnO. (2003) (228)
- Electronic structures of [110]-faceted self-assembled pyramidal InAs/GaAs quantum dots (1999) (226)
- The inverse band-structure problem of finding an atomic configuration with given electronic properties (1999) (223)
- Evolution of III-V nitride alloy electronic structure: the localized to delocalized transition. (2001) (223)
- Atomic structure and ordering in semiconductor alloys. (1985) (220)
- A polarity-induced defect mechanism for conductivity and magnetism at polar–nonpolar oxide interfaces (2014) (218)
- Charge self-regulation upon changing the oxidation state of transition metals in insulators (2008) (216)
- Pseudopotential theory of Auger processes in CdSe quantum dots. (2003) (215)
- Inverse design in search of materials with target functionalities (2018) (215)
- Theoretical and experimental examination of the intermediate-band concept for strain-balanced (In,Ga)As/Ga(As,P) quantum dot solar cells (2008) (213)
- Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: First-principles study of temperature-composition phase diagrams and structures (1997) (212)
- Assessing capability of semiconductors to split water using ionization potentials and electron affinities only. (2014) (208)
- A universal trend in the binding energies of deep impurities in semiconductors (1984) (200)
- Many-electron multiplet effects in the spectra of 3 d impurities in heteropolar semiconductors (1984) (197)
- Impact ionization can explain carrier multiplication in PbSe quantum dots. (2006) (196)
- Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals (2010) (193)
- Band‐gap narrowing in ordered and disordered semiconductor alloys (1990) (192)
- First-principles statistical mechanics of structural stability of intermetallic compounds. (1991) (190)
- Cylindrically shaped zinc-blende semiconductor quantum dots do not have cylindrical symmetry: Atomistic symmetry, atomic relaxation, and piezoelectric effects (2005) (188)
- Systematization of the stable crystal structure of all AB-type binary compounds: A pseudopotential orbital-radii approach (1980) (186)
- DIRECT PSEUDOPOTENTIAL CALCULATION OF EXCITON COULOMB AND EXCHANGE ENERGIES IN SEMICONDUCTOR QUANTUM DOTS (1997) (182)
- InP quantum dots: Electronic structure, surface effects, and the redshifted emission (1997) (182)
- Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO (2007) (179)
- Electronic Structure of 3d Transition-Atom Impurities in Semiconductors (1986) (178)
- First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in Li x CoO 2 (1998) (177)
- Instilling defect tolerance in new compounds. (2017) (176)
- First-principles calculation of alloy phase diagrams: The renormalized-interaction approach. (1989) (176)
- Total-energy and band-structure calculations for the semimagnetic Cd1-xMnxTe semiconductor alloy and its binary constituents. (1987) (174)
- The quest for dilute ferromagnetism in semiconductors: Guides and misguides by theory (2010) (173)
- Optical bowing in zinc chalcogenide semiconductor alloys. (1986) (172)
- Temperature dependence of excitonic radiative decay in CdSe quantum dots: the role of surface hole traps. (2005) (171)
- Parallel Empirical Pseudopotential Electronic Structure Calculations for Million Atom Systems (2000) (170)
- Importance of second-order piezoelectric effects in zinc-blende semiconductors. (2006) (170)
- Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides (2011) (165)
- First-principles calculation of temperature-composition phase diagrams of semiconductor alloys. (1990) (162)
- Microscopic origin of the phenomenological equilibrium "Doping limit Rule" in n-type III-V semiconductors (2000) (158)
- Localization and anticrossing of electron levels in GaAs 1 − x N x alloys (1999) (157)
- Point defects in hexagonal boron nitride. I. EPR, thermoluminescence, and thermally-stimulated-current measurements (1975) (150)
- Iron Chalcogenide Photovoltaic Absorbers (2011) (148)
- Resonant hole localization and anomalous optical bowing in InGaN alloys (1999) (148)
- Band gaps and spin-orbit splitting of ordered and disordered AlxGa1-xAs and GaAsxSb1-x alloys. (1989) (148)
- Relationships between the band gaps of the zinc-blende and wurtzite modifications of semiconductors. (1994) (146)
- Effective band structure of random alloys. (2010) (146)
- Band structure and lattice instability of TiSe2 (1978) (145)
- Band gaps of GaPN and GaAsN alloys (1997) (143)
- Atomic control of conductivity versus ferromagnetism in wide-gap oxides via selective doping: V, Nb, Ta in anatase TiO2. (2008) (142)
- The peculiar electronic structure of PbSe quantum dots. (2006) (141)
- Anion displacements and the band-gap anomaly in ternary AB C 2 chalcopyrite semiconductors (1983) (137)
- Structural Origin of Optical Bowing in Semiconductor Alloys (1983) (137)
- First-Principles Statistical Mechanics of Semiconductor Alloys and Intermetallic Compounds (1994) (136)
- Linear combination of bulk bands method for large-scale electronic structure calculations on strained nanostructures (1999) (135)
- Stability of ordered bulk and epitaxial semiconductor alloys. (1986) (134)
- Deep electronic gap levels induced by isovalent P and As impurities in GaN (1998) (130)
- Composition dependence of interband transition intensities in GaPN, GaAsN, and GaPAs alloys (1997) (130)
- Global space-group optimization problem : Finding the stablest crystal structure without constraints (2007) (130)
- Direct observation of copper depletion and potential changes at copper indium gallium diselenide grain boundaries (2005) (129)
- Local-density-derived semiempirical pseudopotentials. (1995) (128)
- Role of d orbitals in valence-band offsets of common-anion semiconductors. (1987) (127)
- Compositionally induced valence-band offset at the grain boundary of polycrystalline chalcopyrites creates a hole barrier (2005) (125)
- Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals investigation of the electronic structure and properties of TiS2 (1977) (125)
- Intrinsic DX centers in ternary chalcopyrite semiconductors. (2008) (124)
- Ternary and Multinary Compounds (2020) (123)
- Origin of band gaps in 3d perovskite oxides (2019) (121)
- First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms (1978) (121)
- Effects of Linear and Nonlinear Piezoelectricity on the Electronic Properties of InAs/GaAs Quantum Dots (2006) (120)
- Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys (2005) (120)
- InAs quantum dots: Predicted electronic structure of free-standing versus GaAs-embedded structures (1999) (119)
- Optical properties of zinc-blende semiconductor alloys: Effects of epitaxial strain and atomic ordering. (1994) (119)
- The Excitonic Exchange Splitting and Radiative Lifetime in PbSe Quantum Dots (2007) (117)
- Comparison of the electronic structure of InAs/GaAs pyramidal quantum dots with different facet orientations (1998) (113)
- Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities (2016) (113)
- Theory of silicon nanostructures (1996) (112)
- Ground- and excited-state properties of LiF in the local-density formalism (1977) (111)
- n-type doping of CuInSe2 and CuGaSe2 (2005) (109)
- Density-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge (1981) (109)
- Generalized Koopmans Density Functional Calculations Reveal the Deep Acceptor State of NO in ZnO (2010) (108)
- Many-body GW calculation of the oxygen vacancy in ZnO (2009) (108)
- First-principles investigation of the assumptions underlying Model-Hamiltonian approaches to ferromagnetism of 3d impurities in III-V semiconductors (2003) (107)
- New optical transitions in strained Si-Ge superlattices. (1987) (106)
- The electronic consequences of multivalent elements in inorganic solar absorbers: Multivalency of Sn in Cu2ZnSnS4 (2010) (106)
- Direct carrier multiplication due to inverse Auger scattering in CdSe quantum dots (2004) (105)
- Unusual directional dependence of exchange energies in GaAs diluted with Mn: is the RKKY description relevant? (2004) (105)
- Pseudopotential calculations of electron and hole addition spectra of InAs, InP, and Si quantum dots (2000) (103)
- Examining Förster Energy Transfer for Semiconductor Nanocrystalline Quantum Dot Donors and Acceptors (2008) (103)
- Structural and electronic properties of epitaxial thin-layer SinGen superlattices. (1988) (103)
- Theoretical prediction and experimental realization of new stable inorganic materials using the inverse design approach. (2013) (103)
- Magnetic Interactions of Cr-Cr and Co-Co Impurity Pairs in ZnO within a Band-Gap Corrected Density-Functional Approach (2008) (103)
- Defect-induced nonpolar-to-polar transition at the surface of chalcopyrite semiconductors (2001) (102)
- First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids (1979) (101)
- Ferromagnetism in Mn-doped GaAs due to substitutional-interstitial complexes (2003) (100)
- Dark excitons due to direct Coulomb interactions in silicon quantum dots (1999) (98)
- Ground-state structures and the random-state energy of the Madelung lattice. (1990) (98)
- Cation and vacancy ordering in Li x CoO 2 (1998) (98)
- Al on GaAs(110) interface: Possibility of adatom cluster formation (1981) (98)
- Electronic structure of filled tetrahedral semiconductors. (1985) (97)
- Polarization fields and band offsets in GaInP/GaAs and ordered/disordered GaInP superlattices (1996) (96)
- High-Energy Excitonic Transitions in CdSe Quantum Dots (1998) (96)
- Surface origin of high conductivities in undoped In2O3 thin films. (2012) (96)
- A self-interaction corrected approach to many-electron systems: Beyond the local spin density approximation (1980) (96)
- Sorting Stable versus Unstable Hypothetical Compounds: The Case of Multi‐Functional ABX Half‐Heusler Filled Tetrahedral Structures (2012) (95)
- Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals model for the study of solids in the local density formalism (1977) (94)
- Electronic structure of BAs and boride III-V alloys (2000) (94)
- Effects of interfacial atomic segregation and intermixing on the electronic properties of InAs/GaSb superlattices (2002) (94)
- First-principles theory of vibrational effects on the phase stability of Cu-Au compounds and alloys (1998) (94)
- Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductors. (2012) (94)
- Applicability of the k ⋅ p method to the electronic structure of quantum dots (1998) (92)
- Surface dimerization induced CuPtB versus CuPtA ordering of GaInP alloys (1995) (92)
- Shell-Tunneling Spectroscopy of the Single-Particle Energy Levels of Insulating Quantum Dots (2001) (92)
- Nonstoichiometry as a source of magnetism in otherwise nonmagnetic oxides : Magnetically interacting cation vacancies and their percolation (2007) (92)
- First-principles calculations of the phase diagrams of noble metals: Cu-Au, Cu-Ag, and Ag-Au. (1987) (91)
- Electric Field Induced Topological Phase Transition in Two-Dimensional Few-layer Black Phosphorus (2014) (90)
- Carrier localization and the origin of luminescence in cubic InGaN alloys (2001) (90)
- Dependence of the optical properties of semiconductor alloys on the degree of long-range order (1993) (89)
- New approach for solving the density-functional self-consistent-field problem (1982) (88)
- Phosphorus and sulphur doping of diamond (2002) (88)
- Spontaneous Atomic Ordering in Semiconductor Alloys: Causes, Carriers, and Consequences (1997) (87)
- Lifetime and polarization of the radiative decay of excitons, biexcitons, and trions in CdSe nanocrystal quantum dots (2007) (87)
- Mapping the orbital wavefunction of the surface states in three-dimensional topological insulators (2013) (87)
- Confinement, surface, and chemisorption effects on the optical properties of Si quantum wires. (1994) (86)
- Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory (2018) (85)
- Dual nature of acceptors in GaN and ZnO: The curious case of the shallow MgGa deep state (2010) (85)
- Prediction of Li Intercalation and Battery Voltages in Layered vs. Cubic Li[sub x]CoO[sub 2] (1998) (85)
- Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements (2014) (84)
- Excitonic exchange splitting in bulk semiconductors (1999) (84)
- Peculiar many-body effects revealed in the spectroscopy of highly charged quantum dots (2007) (84)
- Band offsets at the CdS/CuInSe2 heterojunction (1993) (83)
- Electronic structure of LiZnN: Interstitial insertion rule. (1985) (83)
- Surface-induced ordering in GaInP. (1991) (83)
- Self-consistent LCAO calculation of the electronic properties of graphite. I. The regular graphite lattice (1978) (82)
- First-principles theory of short-range order in size-mismatched metal alloys: Cu-Au, Cu-Ag, and Ni-Au (1998) (82)
- Electronic correlation in anion p orbitals impedes ferromagnetism due to cation vacancies in Zn chalcogenides. (2009) (82)
- Electronic structure, donor and acceptor transitions, and magnetism of 3d impurities in In2O3 and ZnO (2009) (81)
- Empirical atomic pseudopotentials for AlAs/GaAs superlattices, alloys, and nanostructures. (1994) (81)
- Electronic structure of the ternary pnictide semiconductors ZnSiP 2 , ZnGeP 2 , ZnSnP 2 , ZnSiAs 2 , and MgSiP 2 (1984) (80)
- Local-density-derived semiempirical nonlocal pseudopotentials for InP with applications to large quantum dots (1997) (80)
- Excitons, biexcitons, and trions in self-assembled "In,Ga…As/ GaAs quantum dots: Recombination energies, polarization, and radiative lifetimes versus dot height (2005) (80)
- EFFECTS OF ATOMIC SHORT-RANGE ORDER ON THE ELECTRONIC AND OPTICAL PROPERTIES OF GAASN, GAINN, AND GAINAS ALLOYS (1998) (79)
- Surface-reconstruction-enhanced solubility of N, P, As, and Sb in III-V semiconductors (1997) (79)
- PREDICTED BOND LENGTH VARIATION IN WURTZITE AND ZINC-BLENDE INGAN AND ALGAN ALLOYS (1999) (78)
- Comparison of the k⋅p and direct diagonalization approaches to the electronic structure of InAs/GaAs quantum dots (2000) (77)
- Mixed-basis cluster expansion for thermodynamics of bcc alloys (2004) (77)
- Fingerprints of CuPt ordering in III-V semiconductor alloys: Valence-band splittings, band-gap reduction, and x-ray structure factors (1998) (77)
- Theory of excitonic spectra and entanglement engineering in dot molecules. (2004) (77)
- Pseudopotential theory of semiconductor quantum dots (2001) (76)
- Electronic structure and phase stability of LiZnAs: A half ionic and half covalent tetrahedral semiconductor. (1986) (76)
- Electronic structure consequences of In/Ga composition variations in self-assembled In x Ga 1-x As/GaAs alloy quantum dots (2001) (76)
- Wide InP nanowires with wurtzite/zincblende superlattice segments are type-II whereas narrower nanowires become type-I: an atomistic pseudopotential calculation. (2010) (75)
- Ordered-vacancy-compound semiconductors: Pseudocubic CdIn2Se4. (1988) (75)
- Carrier relaxation mechanisms in self-assembled ( In , Ga ) As ∕ Ga As quantum dots: Efficient P → S Auger relaxation of electrons (2006) (74)
- Pseudopotential theory of dilute III-V nitrides (2002) (74)
- Obtaining Ising-like expansions for binary alloys from first principles (2002) (74)
- Matrix-embedded silicon quantum dots for photovoltaic applications: a theoretical study of critical factors (2011) (73)
- Point defects in hexagonal boron nitride. II. Theoretical studies (1975) (73)
- Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels (2011) (73)
- Cation Off-Stoichiometry Leads to High p-Type Conductivity and Enhanced Transparency in Co2ZnO4 and Co2NiO4 Thin Films (2012) (72)
- Electronic charge distribution in crystalline diamond, silicon, and germanium. (1993) (72)
- First-principles calculation of the order-disorder transition in chalcopyrite semiconductors. (1992) (72)
- Correlation versus mean-field contributions to excitons, multiexcitons, and charging energies in semiconductor quantum dots (2000) (72)
- Short- and long-range-order effects on the electronic properties of III-V semiconductor alloys. (1995) (71)
- Large scale electronic structure calculations using the Lanczos method (1994) (71)
- Electronic-Structure Theory of Semiconductor Quantum Dots (1998) (70)
- Pseudopotential study of electron-hole excitations in colloidal free-standing InAs quantum dots (1999) (70)
- Stability, Electronic Structure, and Phase Diagrams of Novel Inter- Semiconductor Compounds (1991) (70)
- Carrier multiplication in semiconductor nanocrystals: theoretical screening of candidate materials based on band-structure effects. (2008) (70)
- InAsSb/InAs: A type-I or a type-II band alignment. (1995) (70)
- First-principles theory of short-range order, electronic excitations, and spin polarization in Ni-V and Pd-V alloys. (1995) (69)
- Searching for alloy configurations with target physical properties: impurity design via a genetic algorithm inverse band structure approach. (2006) (68)
- “Majority Representation” of Alloy Electronic States (1998) (68)
- Band structure and stability of zinc-blende-based semiconductor polytypes (1999) (68)
- Predicted Realization of Cubic Dirac Fermion in Quasi-One-Dimensional Transition-Metal Monochalcogenides (2016) (68)
- Why can CuInSe2 be readily equilibrium-doped n-type but the wider-gap CuGaSe2 cannot? (2004) (68)
- False-positive and false-negative assignments of topological insulators in density functional theory and hybrids (2011) (68)
- First-principles calculation of semiconductor-alloy phase diagrams. (1987) (67)
- Efficient Inverse Auger Recombination at Threshold in CdSe Nanocrystals (2004) (67)
- Evolution of electronic structure as a function of layer thickness in group-VIB transition metal dichalcogenides: emergence of localization prototypes. (2015) (66)
- Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO (2017) (65)
- Ordering of isovalent intersemiconductor alloys. (1988) (65)
- Ising-like description of structurally relaxed ordered and disordered alloys. (1995) (65)
- Short-range versus long-range electron-hole exchange interactions in semiconductor quantum dots (1998) (65)
- Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion (2006) (65)
- Ground-state electronic properties of diamond in the local-density formalism (1977) (64)
- Direct observation of the structure of band-edge biexcitons in colloidal semiconductor CdSe quantum dots (2009) (63)
- Order-disorder transformation in ternary tetrahedral semiconductors (1987) (63)
- Method of linear combination of structural motifs for surface and step energy calculations: Application to GaAs(001). (1996) (63)
- Phonons in GaP quantum dots (1999) (63)
- Predictions and systematizations of the zinc-blende-wurtzite structural energies in binary octet compounds. (1992) (63)
- Electronic structure of random Al0.5Ga0.5As alloys: Test of the "special-quasirandom-structures" description. (1990) (61)
- Zinc-blende half-metallic ferromagnets are rarely stabilized by coherent epitaxy (2005) (61)
- Successes and failures of the k (1996) (61)
- s-d coupling in zinc-blende semiconductors (2003) (61)
- Beware of plausible predictions of fantasy materials (2019) (61)
- Ordering tendencies in octahedral MgO-ZnO alloys (2003) (60)
- Addition Spectra of Quantum Dots: the Role of Dielectric Mismatch (1999) (60)
- Broken symmetry and quantum entanglement of an exciton in In x Ga 1 − x As ∕ Ga As quantum dot molecules (2005) (60)
- Theory of Systematic Absence of NaCl-Type ( β-Sn-Type) High Pressure Phases in Covalent (Ionic) Semiconductors (1999) (60)
- Long-range order in binary late-transition-metal alloys. (1991) (60)
- Universal electrostatic origin of cation ordering in A2BO4 spinel oxides. (2011) (59)
- Electronic origins of the magnetic phase transitions in zinc-blende Mn chalcogenides. (1993) (58)
- MULTIBAND COUPLING AND ELECTRONIC STRUCTURE OF (INAS)N/(GASB)N SUPERLATTICES (1999) (58)
- Simultaneous Relaxation of Nuclear Geometries and Electric Charge Densities in Electronic Structure Theories (1983) (58)
- Understanding Doping of Quantum Materials. (2020) (58)
- Theory of substitutional and interstitial 3 d impurities in silicon (1982) (57)
- Evolution of alloy properties with long-range order. (1992) (57)
- Structural phenomena in coherent epitaxial solids (1989) (57)
- Fine structure of negatively and positively charged excitons in semiconductor quantum dots: electron-hole asymmetry. (2007) (57)
- Ab initio self-consistent study of the electronic structure and properties of cubic boron nitride (1978) (57)
- Epitaxial effects on coherent phase diagrams of alloys. (1989) (56)
- Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design (2013) (56)
- Prediction of ordered structures in the bcc binary systems of Mo, Nb, Ta, and W from first-principles search of approximately 3,000,000 possible configurations (2005) (55)
- Million-Atom Pseudopotential Calculation of Gamma-X Mixing in GaAs/AlAs Superlattices and Quantum Dots (1997) (55)
- Overcoming doping bottlenecks in semiconductors and wide-gap materials (1999) (55)
- Trends in ferromagnetism, hole localization, and acceptor level depth for Mn substitution in GaN, GaP, GaAs, and GaSb (2004) (54)
- Stability of bulk and pseudomorphic epitaxial semiconductors and their alloys. (1988) (54)
- Chemical and elastic effects on isostructural phase diagrams: The epsilon -G approach. (1988) (54)
- Structural complexity in binary bcc ground states: The case of bcc Mo-Ta (2004) (54)
- Thermodynamic States and Phase Diagrams for Bulk-Incoherent, Bulk-Coherent, and Epitaxially-Coherent Semiconductor Alloys: Application to Cubic (Ga,In)N (2008) (54)
- Split Dirac cones in HgTe/CdTe quantum wells due to symmetry-enforced level anticrossing at interfaces (2014) (54)
- Uncovering and tailoring hidden Rashba spin–orbit splitting in centrosymmetric crystals (2018) (54)
- Room-temperature ferromagnetism in Mn-doped semiconducting CdGeP2. (2001) (54)
- Polymorphous nature of cubic halide perovskites (2019) (53)
- Short-range order types in binary alloys: A reflection of coherent phase stability (1999) (53)
- Electronic structure of semiconductor quantum films. (1993) (53)
- Structural Stability of 495 Binary Compounds (1980) (52)
- Metal-dimer atomic reconstruction leading to deep donor states of the anion vacancy in II-VI and chalcopyrite semiconductors. (2004) (52)
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- Publisher’s Note: Localized interface states in coherent isovalent semiconductor heterojunctions [Phys. Rev. B84, 125315 (2011)] (2011) (0)
- A unified mechanism for 2DEG at SrTiO3/LaAlO3 interface (2014) (0)
- Search for highly absorbing thin-film photovoltaic absorbers in the system Cu-V-VI from first principles calculations (2013) (0)
- Degeneracy Removal of Spin Bands in Collinear Antiferromagnets with Non-Interconvertible Spin-Structure Motif Pair. (2023) (0)
- Discovery of Halide Perovskites and superlattices as a Design Problem (2018) (0)
- Inverse Band Structure determination of optical properties of (In,Ga)(As,Sb) alloys (2007) (0)
- Condensed Matter Physics Issues in Inorganic Photovoltaics (2010) (0)
- Atomic Structures and Formation Energies of Steps on GaAs(00 1)-2x4 Surfaces (1996) (0)
- Atomic structure and ordering in semiconductor a ] 1 oys (2011) (0)
- Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>EuTi</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> (2022) (0)
- The appearance of a switch in orbital texture and the resulting absence of complete spin polarization in a Rashba semiconductor (2016) (0)
- Ab initio search for new $p$-type transparent conductors among oxide sulfides (2014) (0)
- Strong Second Order Piezoelectric Effect in InGaAs/GaAs Nanostructures (2007) (0)
- Deep-shallow transition and interplay between atomic and electronic structure (2004) (0)
- Electronic structure of random Ago 5 pdo 5 and Ago 5 Auo 5 alloys (2011) (0)
- Ternary and multinary compounds : proceedings of the 7th International Conference , Snowmass, Colorado, September 10-12, 1986 (1987) (0)
- Germanium and Silicon quantum dots: Similarities and differences (2000) (0)
- Iron chalcogenide photovoltaic absorbers -- problems and opportunities (2012) (0)
- Foreword to: ICTMC (2003) (0)
- Quantum-mechanical prediction of precipitate shapes in Al-Zn (2000) (0)
- Predictions of New Semiconductor of Transition Metal Structures and Their Properties (1993) (0)
- Highly-reduced Fine-structure splitting in InAs/InP quantum dots offering efficient on-demand 1.55 $\mu$m entangled photon emitter (2009) (0)
- Inverse band structure optimization of (InAs)/(GaAs) (001) nanostructures for thermophotovoltaics (2008) (0)
- STRUCTURALPHENOMENA IN COHERENTEPITAXIAL SOLIDS (0)
- Discovery of supercoupling between heavy-hole and light-hole in self-assembled quantum dots (2014) (0)
- Structurally unstable III-Bi-O$_3$ perovskites are predicted to be topological insulators but their stable structural forms are just band insulators: A first principles study (2014) (0)
- Controlling entanglement in InGaAs/GaAs quantum dot molecules via electric fields (2005) (0)
- J un 2 00 8 Highly-reduced Fine-structure splitting in InAs / InP quantum dots offering efficient on-demand 1 . 55 μ m entangled photon emitter (2018) (0)
- Effect of linear and non-linear piezoelectricity on the electronic properties of InAs / GaAs quantum dots (2006) (0)
- Materials predicted to be topological insulators in hypothetical structures assumed by theorists might be trivial insulators in their stable phases (2015) (0)
- Heavy-hole light-hole mixing mechanisms and optical polarization in semiconductor QDs (2013) (0)
- Simple point-ion electrostatic model explains the cation ordering in A2BO4 spinel oxides (2011) (0)
- Charge regulation via a negative feedback: transition metal atoms in semiconductors and insulators (2008) (0)
- Dependence of Optical Properties of Semiconductor Alloys on Long Range Order, Strain and Pressure (1995) (0)
- High‐Energy Excitonic Transitions in CdSe Quantum Dots. (1998) (0)
- Ez , and Eo transitions and pressure dependence in (0)
- Separation of topological insulator and Dirac semimetal phases in ABX honeycomb structures (2018) (0)
- JUNE 1992-II Theory of interfacial stability of semiconductor superlattices (2011) (0)
- Cubic Dirac fermions in quasi-one-dimensional transition-metal chalcogenide semimetals immune to Peierls distortion (2017) (0)
- Confinement-Induced vs. Correlation-Induced Electron Localization in Model Semiconductor Nano Circuits (2014) (0)
- Beware of plausible predictions of fantasy materials (2019) (0)
- Effect of Fermi level on Microstructure and Magnetism in (Ga,Mn)N Alloys (2008) (0)
- The reason FeS$_2$ is not a good PV absorber (2011) (0)
- High-precision mixed-space cluster expansion for Cu-rich Cu-Pd alloys: Explaining the (2006) (0)
- Prediction of large linear-in-k spin splitting for holes in the 2D GaAs/AlAs system (2010) (0)
- Genetic-Algorithm first-principles prediction of novel ground state (2005) (0)
- Alloy clustering and composition-dependence of optical bowing and interband transition intensities in GaPN and GaPAs alloys (1997) (0)
- Prediction of Mott insulation and atomic displacements in 3d ABO 3 oxide perovskites without Hubbard U (2019) (0)
- First-Principles Predictions of Ordered Structures in Fe-Ni Alloys (2006) (0)
- Unusual hole Rashba spin splitting in one-dimensional semiconductor nanowires (2017) (0)
- GW band gap of Filled Tetrahedral Structuctures: absorbers and topological insulators ? (2011) (0)
- Structural and electronic properties of epitaxial thin-layer Si „ Ge „ superlattices (2011) (0)
- Topological properties are not protected in unstable crystal structures (2019) (0)
- Defect levels of the O vacancy in ZnO in DFT, hybrid-DFT, and GW (2010) (0)
- Outreach Talk 2 (2014) (0)
- Manipulation of the excitonic properties of GaAs quantum dots via strain fields (2018) (0)
- Electronic structure and ferromagnetism of Mn-substituted CuAlS 2 , CuGaS 2 , CuInS 2 , (2004) (0)
- Symmetric Relaxation Around Interstitial 3d Impurities in Silicon (1985) (0)
- Inverse Design: Playing "Jeopardy" in Materials Science (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum) (2011) (0)
- Local density formalism approach to cohesive properties of solids: Diamond, BN, and LiF (2009) (0)
- Density-Functional Description of Bond Disproportionation in ABO 3 Compounds Into Different Local Environments for the Same B Chemical Element (2018) (0)
- The search for minimum-energy atomic configurations on a lattice: Lamarckian twist on Darwinian Evolution (2008) (0)
- Light-induced metastability in the wide-gap ZnO and CuGaSe$_{2}$ caused by anion vacancies (2005) (0)
- M ay 2 00 4 Metal-nonmetal transition and excitonic ground state in InAs / InSb quantum dots (2022) (0)
- Defect-induced Ferromagnetism in Insulators without Magnetic Ions: The Case of Cation Vacancy in CaO (2006) (0)
- Electronic structure of transition-atom impurities in semiconductors : Substitutional 3 d impurities in silicon (2011) (0)
- Electronic Structure of Mn in III-V semiconductors: lessons from First-principles theory (2005) (0)
- Shape, charge, and alloy fluctuation effects on optical properties of million-atom InGaAs/GaAs dots$^{*}$ (2005) (0)
- Symmetry-breaking of single-particle and of many-particle electron states in self-assembled InAs/GaAs quantum dot-molecules (2004) (0)
- Self-consistent yseudoyotential calculation of the bulk yroyerties of Mo and W (1979) (0)
- Epitaxial Eff ' ects on Coherent Phase Diagrams of Alloys 26 SEPTEMBER 1988 (0)
- Atomic short-range order and alloy ordering tendency in the Ag-Au system (1995) (0)
- Inverse band design of SiGe superlattices with direct band-gaps (2011) (0)
- Effects of ordering on the electron effective mass and strain deformation potential in GaInP2: Deficiencies of the k (1995) (0)
- A Unified Description of the Electronic Structure and Dynamics in the Doped Mott Insulator $Sr_2IrO_4$ (2017) (0)
- Fe$_{2}$MCh$_{4}$ (M=Si,Ge, Ch=S,Se): optical, electrical properties and defects (2012) (0)
- Diamondlike carbo-boride C5B compound? Testing crystal structures and stability with Global Space Group Optimization ( GSGO) (2012) (0)
- Effective band structure of random III-V alloys (2010) (0)
- Exploring the Use of Self-Assembled InGaAs/GaAsP Quantum Dots as Intermediate Band Solar Cells (IBSC) (2008) (0)
- BYU ScholarsArchive BYU ScholarsArchive Ordering tendencies in octahedral MgO-ZnO alloys Ordering tendencies in octahedral MgO-ZnO alloys (2022) (0)
- Electron and Hole Confinement in GaInN/GaN and AlGaN/GaN Quantum Wells (2001) (0)
- Sorting stable from unstable hypothetical compounds and determining the electronic structure of interesting candidates : The case of Half-Heusler Filled Tetrahedral ABX structures (2012) (0)
- Quan « m-confinement-induced I = I transition in GaAs / A 1 GaAs quantum fiims , cfires , and dots (2011) (0)
- II Lang-versus shart-range arder in Ni & V and PdzV allays (2011) (0)
- Searching for new solar absorber materials for energy applications within the Fe2(IV)VI4 family using electronic structure theory (2010) (0)
- Inspecting $\sim$700 A$_{2}$BX$_{4}$ compounds for energy applications: sorting their $\sim$40 crystal structures by diagramatic orbital radii maps without energy minimization (2010) (0)
- The fluid-like nature of solid cubic halide perovskites (2019) (0)
- Electronic structure of InP/InGaP self-assembled quantum dots (2001) (0)
- Abstract Submitted for the MAR09 Meeting of The American Physical Society Effect of Atomic-Scale Alloy Randomness on the Optical Polariza- tion of Semiconductor Quantum Dots1 (2012) (0)
- Electronic structure of substitutional 3d impurities in silicon (1983) (0)
- Structural instability in zinc-blende semiconductors (1994) (0)
- 3d impurities in wide gap oxides---magnetism and carrier doping. (2009) (0)
- electronic structure and properties of cubic boron nitride * (2011) (0)
- Hidden Zeeman-type spin polarization in bulk crystals (2021) (0)
- Program Overview 21 October , room B 636 (2013) (0)
- Transforming common III-V/II-VI insulating building blocks into topological heterostructure via the intrinsic electric polarization (2016) (0)
- Finding structures with specific properties in complex configurational spaces using multi-target inverse band structure approach (2009) (0)
- Correlation, Mott-transition, and singlet-triplet splitting for two electrons in self-assembled InAs/GaAs quantum dot molecules (2005) (0)
- The different shapes of spin textures as a journey through Brillouin zone chiral and polar symmetries (2021) (0)
- Localization and Band Gap Pinning in Semiconductor Superlattices with Layer Thickness Fluctuations (1995) (0)
- Prediction of alloy precipitate shapes from first principles (2001) (0)
- Relativity-Induced Ordering and Phase Separation in Intermetallic Compounds (1993) (0)
- Hund's rule, spin blockade, and the Aufbau principle in strongly confined semiconductor quantum dots (2000) (0)
- Origins of k · p errors for [001] GaAs/AlAs heterostructures (1996) (0)
- Correlated Atomic Displacements in the Chemically Random Ga1-xInxP Alloy (1995) (0)
- Predicting the electronic properties of 3D, million-atom semiconductor nanostructure architectures (2006) (0)
- Surface energetics and ordering in GaInP (1992) (0)
- Electronic structure of electronic materials for photovoltaic applications (1984) (0)
- Doping designed half-Heusler insulators (2015) (0)
- Pseudopotential Theory of Semiconductor Quantum Dots, Wires and Films (1997) (0)
- Origin of band gaps in 3d perovskite oxides (2019) (0)
- Room-Temperature Ferromagnetism in Mn-Doped Semiconducting (2002) (0)
- Uncovering and tailoring hidden Rashba spin–orbit splitting in centrosymmetric crystals (2019) (0)
- 4,000-atom LDA supercell calculations of wavefunction localization in III-V nitrides GaAsN, InAsN, GaPN, InPN (2002) (0)
- Pseudopotential calculations of electron and hole addition spectra of semiconductor quantum dots (2000) (0)
- Hyperfine Interaction of the Iron Impurity Nuclei at the Tetrahedral Interstitial Site in Silicon (1985) (0)
- Uncovering hidden spin polarization of energy bands in antiferromagnets (2022) (0)
- II Ordered-vacancy-compound semiconductors : (0)
- The ``Missing Compounds'' affair in functionality-driven material discovery (2014) (0)
- Prediction of a strain-tunable 2D Topological Dirac semimetal in monolayers of black phosphorus (2015) (0)
- Auger electron-hole scattering leads to efficient P->S electronic relaxation in self-assembled (In,Ga)As/GaAs quantum dots (2007) (0)
- Group-ib impurities in 'SI' (1985) (0)
- Dresselhaus spin-orbit coupling for holes in the 2D GaAs/AlAs system (2009) (0)
- Origin of one-photon and two-photon absorption peaks in PbSe nanocrystals from atomistic pseudopotential calculations (2010) (0)
- Instability of Diatomie Deuterium in fce Palladium (1990) (0)
- X-ray emission and absorption of N 1s in GaAsN (2003) (0)
- lectronic-Structure Theory of Semiconductor Quantum Dots (1998) (0)
- ARPES and spin ARPES measurements of nonmagnetic centrosymmetric crystal LaBiOS$_{2}$ (2015) (0)
- Emergence of an upper bound to the electric field controlled Rashba spin splitting in InAs nanowires (2020) (0)
- Electronic Structure of Intrinsic Defects in CuInSe_2 (1996) (0)
- A few ways in which LDA et al can produce a wrong description of magnetism in oxides (2009) (0)
- Auger electron-hole scattering leads to efficient $P\rightarrow S$ electronic relaxation in self-assembled (In,Ga)As/GaAs quantum dots (2007) (0)
- Electronic structure of ordered and disordered Cu_{3}Au and Cu_{3}Pd (2011) (0)
- Effect of Indium/Gallium Intermixing within In_0.5Ga_0.5As Self-Assembled Dots (2000) (0)
- Electronic structure and stability of semiconductor alloys (1987) (0)
- Band Structure and Electronic Excitations in Cd l-x Mn x Te (1986) (0)
- Predicting alloy disorder effects on the Effective Band Structures (EBS) of Topological and other solid solutions. (2018) (0)
- Theory-driven design of hole-conducting transparent oxides (2012) (0)
- Gapping of MnO, FeO, CoO, and NiO Mott insulators by SCAN without U (2019) (0)
- Effects of configurational, positional and vibrational degrees of freedom on an alloy phase diagram: a Monte Carlo study of Ga1-xInxP (1995) (0)
- Structural phase transition in ( GaAs ) t „ Gez „ and ( GaP ) i „ Si 2 „ alloys : Test of the bulk thermodynamic description (2011) (0)
- Arthur J. Freeman (2016) (0)
- Tuning quantum entanglement in InGaAs/GaAs dot molecules with electric fields (2005) (0)
- Band Edge Energies and Band Gaps of Quaternary GaInAsSb Alloys (2007) (0)
- Evaluation of tight-binding models for deep defect levels 111 seln 1 conductors (2011) (0)
- Pseudopotential calculation of Auger processes in CdSe quantum dots (2003) (0)
- Small to medium atomic size mismatch leads to phase-separation yet very large mismatch can lead to spontaneous ordering. (2010) (0)
- Finding the minimum-energy atomic configuration in large multi-atom structures: Genetic Algorithm versus the Virtual-Atom Approach (2007) (0)
- Band structure and lattice i ~ Mbility of TiSe 2 15 FEBRUAR Y 1978 (2011) (0)
- Origin and design of indirect-to-direct band gap transition in group-VIB transition metal dichalcogenide films and heterostructures (2014) (0)
- Deep nitrogen-induced valence-and conduction-band states in GaAs 1 À x N x (2003) (0)
- Quantum Architecture of Novel Alloys and Compounds (1997) (0)
- Evolution Of The Band Gaps And Band Edges Of Quaternary Ga1−yInyAsxSb1−x/InAs Alloys As A Function of Composition (2005) (0)
- High Energy Optical Transitions in Ga(PN): Contribution from Perturbed Valence Band (2005) (0)
- Confinement effects in supported vs. isolated quantum structures: A study of Si(001) films (1993) (0)
- Comparison of the calculated electronic structures of free-standing and of GaInP-embedded InP quantum dots (1997) (0)
- Calculations of the multi-exciton absorption spectra of InAs/GaAs (2000) (0)
- Natural off-stoichiometry and asymmetry in $p$/$n$-dopability of wide-gap oxides$^{1}$ (2007) (0)
- Experimental Realization of Theoretically Predicted New Stable Inorganic ABX Materials (2014) (0)
- Electronic structure of Cue( (1979) (0)
- Atomic structure and ordering in semiconductor a)1oys (1985) (0)
- Prediction of previously unreported 18-electron ABC materials via first-principles thermodynamics (2013) (0)
- Can wide-gap chalcopyrite be doped n-type (2005) (0)
- Pressure evolution of localized nitrogen cluster states in GaAsN alloys (2003) (0)
- Insulating band gaps both below and above the N\'eel temperature in d-electron LaTiO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event (2022) (0)
- The Nature of the magnetism-promoting hole state in the prototype magnetic semiconductor (2012) (0)
- Fine Structure of Charged Excitons and Multiexcitons in Self-Assembled InGaAs/GaAs Quantum Dots (2008) (0)
- Exotic few-particle ground states in charged self-assembled InAs/GaAs quantum dots (2006) (0)
- Pressure coefficient of nitrides and their III-Alloys (1999) (0)
- Evolution of the bandgap and band-edge energies of the lattice-matched Ga In As Sb (2015) (0)
- Influence of Ga Concentration an the Ordering Process of Ga_xIn_ P_x Grown on GaAs (1993) (0)
- Publisher's Note: Thermodynamic states and phase diagrams for bulk-incoherent, bulk-coherent, and epitaxially-coherent semiconductor alloys: Application to cubic (Ga,In)N [Phys. Rev. B77, 205201 (2008)] (2008) (0)
- Quantum-size-induced phase transitions in quantum dots: Indirect-band gap GaAs nanostructures (2008) (0)
- Determination of the ground state structures of binary alloys via global space group optimziation (GSGO) with no restrictions on composition:Al-Sc. (2009) (0)
- Use of First-Principles Theory to Identify materials and nano structures for next-generation solar cells (2012) (0)
- Band-structure predictions for A2BX4 discovery compounds (2012) (0)
- Combinatorial design of high-temperature ferromagnetic semiconductors from first principles (2006) (0)
- Prediction of Unsuspected Ordering Tendencies in Pd-Pt and Rh-Pt Alloys (1996) (0)
- Quantum architecture of novel solids (2001) (0)
- Singlet-triplet splitting, correlation and entanglement of two electrons in self-assembled InAs/GaAs quantum dot molecules (2005) (0)
- Discovering potentially overlooked Filled Tetrahedral Structure compounds by high-throughput first-principles calculation (2011) (0)
- Pseudopotential Calculation of the Excited States of Semiconductor Quantum Dots (1998) (0)
- Electronic structure of copper, silver and gold in silicon (1985) (0)
- APRIL 1995-II Atomic-scale structure of disordered Gat „ In „ P alloys (2011) (0)
- Electronic structure of nitrogen impurity pairs in GaP and GaAs (2000) (0)
- Diamond-like order in zinc-blende compounds (1992) (0)
- How does atomic microstructure of alloys affect electronic structure: The case of InGaN (2010) (0)
- Can Scanning Tunneling Microscopy alone Determine the Structure of As Vacancies on GaAs(110) Surfaces? An ab initio Total Energy Study (1996) (0)
- Design of Inorganic Pb-free Double-perovskite Halides for Optoelectronic Applications (2018) (0)
- Novel ground states in mixed bcc/fcc, high-/low-spin Fe-(Ni,Pd,Pt) from first-principles (2007) (0)
- A new force field for alloys: application to Cu-Au (1998) (0)
- First-Principles epitaxial phase-diagram, short-range order, microstructure and electronic properties of (In,Ga)N zincblende alloys on GaN (2008) (0)
- Abstract Submitted for the MAR16 Meeting of The American Physical Society Transforming common III-V/II-VI insulating building blocks into topological heterostructure via the intrinsic electric polarization1 (2016) (0)
- High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering and photoluminescence study Note: wurtzite structure Note: synthetic (1995) (0)
- Theory of optical and structural consequences of spontaneous atomic ordering in wurtzite AlGaN alloys (2003) (0)
- Searching for new transparent conducting oxides( TCO) for energy applications within the A$_2$BO$_4$ family using defect calculations for A=Co, Rh, Ir and B=Mg, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Sr and Cd (2010) (0)
- Describing paramagnetic phases of ABO 3 transition metal oxide perovskites with Density Functional Theory (2018) (0)
- Quantum-Size Effects on the Pressure-Induced Direct-to-Indirect BandGap Transition in InP Quantum Dots (1998) (0)
- DFT with larger supercells explains the band gap formation in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO (2017) (0)
- Band Structure and Stability of Ternary Semiconductor Polytypes (2000) (0)
- Spontaneous non-stoichiometry and ordering of metal vacancies in degenerate transparent conductive oxides (2019) (0)
- Pseudopotential many-body Calculation of the spin structure of Excitons and Trions in InAs/GaAs self-assembled quantum dots (2002) (0)
- GW identification of False-positive and False-negative assignments of Topological Insulators and Semimetals in Density-Functional Calculations (2011) (0)
- Novel giant Rashba spin splitting of holes in semiconductor nanowires for Majorana Fermions (2013) (0)
- Effect of Atomic-Scale Alloy Randomness on the Optical Polarization of Semiconductor Quantum Dots (2009) (0)
- Thermodynamic Stability of (AlAs) (GaAs) "Superlattices and the Random Aln 5Gao &As Alloy (1988) (0)
- Band Gap Anomaly in Ternary Chalcopyrites and Optical Bowing in Binary Semiconductor Alloys (1985) (0)
- Using genetic algorithms to find from first-principles the minimum-energy crystal structure starting from random cell vectors and random atomic positions. (2008) (0)
- Intrinsic DX Centers in Ternary Chalcopyrite Semiconductors (Presentation) (2008) (0)
- The global space-group optimization approach to crystal structure prediction (2007) (0)
- Traveling the configurational space of binary alloys (2006) (0)

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