Patrick R. Briddon
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Physics
Patrick R. Briddon's Degrees
- PhD Physics University of Oxford
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(Suggest an Edit or Addition)Patrick R. Briddon's Published Works
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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
- Structure and energetics of the vacancy in graphite (2003) (419)
- Electric-field control of magnetic order above room temperature. (2014) (416)
- Plasmon spectroscopy of free-standing graphene films (2008) (394)
- Native Point Defects in ZnO (2014) (383)
- Theory of Li in ZnO: A limitation for Li-based p -type doping (2005) (309)
- Theory of Threading Edge and Screw Dislocations in GaN (1997) (277)
- LDA Calculations Using a Basis of Gaussian Orbitals (2000) (262)
- DEEP ACCEPTORS TRAPPED AT THREADING-EDGE DISLOCATIONS IN GAN (1998) (259)
- Oxygen and dioxygen centers in Si and Ge: Density-functional calculations (2000) (206)
- Structure, electronics, and interaction of hydrogen and oxygen on diamond surfaces (2006) (197)
- First-principles study of the diffusion of hydrogen in ZnO. (2006) (167)
- Strained graphene: tight-binding and density functional calculations (2009) (155)
- Stacking faults in 3C-, 4H-, and 6H-SiC polytypes investigated by an ab initio supercell method (2003) (126)
- Vacancy-impurity complexes and limitations for implantation doping of diamond (2005) (121)
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions (2008) (120)
- Highly efficient method for Kohn-Sham density functional calculations of 500–10 000 atom systems (2009) (119)
- Adatoms and nanoengineering of carbon (2001) (118)
- Donor and acceptor states in diamond (2003) (115)
- p-type doping of graphene with F4-TCNQ (2009) (114)
- Hydrogen adsorption on graphene: a first principles study (2010) (109)
- Autocatalysis During Fullerene Growth (1996) (108)
- Metastable Frenkel pair defect in graphite: source of Wigner energy? (2003) (103)
- Structure and electrical activity of rare-earth dopants in GaN (2004) (103)
- Inducing energy gaps in monolayer and bilayer graphene: Local density approximation calculations (2008) (94)
- Theory of Fe, Co, Ni, Cu, and their complexes with hydrogen in ZnO (2005) (94)
- ABSORPTION SPECTRA AND OPTICAL TRANSITIONS IN INAS/GAAS SELF-ASSEMBLED QUANTUM DOTS (1997) (92)
- Localized electronic states around stacking faults in silicon carbide (2001) (90)
- Origin of brown coloration in diamond (2006) (88)
- Structure and motion of basal dislocations in silicon carbide (2003) (87)
- Identification of the structure of the 3107 cm−1 H-related defect in diamond (2014) (86)
- The transfer doping of graphite and graphene (2007) (85)
- Extended defects in diamond: The interstitial platelet (2003) (84)
- Chapter 6 The Ab Initio Cluster Method and the Dynamics of Defects in Semiconductors (1998) (83)
- Calculations of Electrical Levels of Deep Centers: Application to Au-H and Ag-H Defects in Silicon (1999) (81)
- Band Gap Engineering via Edge-Functionalization of Graphene Nanoribbons (2013) (79)
- Degradation of boron-doped Czochralski-grown silicon solar cells. (2004) (78)
- Stacking faults in silicon carbide (2003) (77)
- Cubic polytype inclusions in 4H–SiC (2003) (76)
- First-principles theory of nitrogen aggregates in diamond (1992) (73)
- Quantum Monte Carlo study of the optical and diffusive properties of the vacancy defect in diamond. (2003) (73)
- Theory of impurities in diamond (1993) (72)
- Predicting experimentally stable allotropes: Instability of penta-graphene (2015) (71)
- Vibrational modes and electronic properties of nitrogen defects in silicon (2003) (71)
- Interstitial carbon-oxygen center and hydrogen related shallow thermal donors in Si (2001) (70)
- Theory of boron aggregates in diamond: First-principles calculations (2006) (66)
- Shallow donors in diamond: chalcogens, pnictogens, and their hydrogen complexes. (2004) (66)
- Cation-site intrinsic defects in Zn-doped CdTe (2010) (65)
- Alphabet luminescence lines in 4H-SiC (2002) (64)
- Hydrogen in diamond (1988) (64)
- Electrical activity of chalcogen-hydrogen defects in silicon (2003) (61)
- Dislocation related photoluminescence in silicon (2001) (61)
- Mechanisms of doping graphene (2010) (60)
- Effect of oxygen on the growth of (101̄0) GaN surfaces: The formation of nanopipes (1998) (59)
- Dirac Cones in two-dimensional conjugated polymer networks (2014) (59)
- Self-interstitial aggregation in diamond (2001) (57)
- Stable hydrogenated graphene edge types: Normal and reconstructed Klein edges (2013) (57)
- Z1/Z2 defects in 4H-SiC. (2003) (57)
- Hydrogen molecules in silicon located at interstitial sites and trapped in voids (1998) (56)
- Vacancy diffusion and coalescence in graphene directed by defect strain fields. (2014) (56)
- Trivacancy and trivacancy-oxygen complexes in silicon: Experiments and ab initio modeling (2009) (56)
- Interstitial aggregates and a new model for the I1/W optical centre in silicon (1999) (54)
- Density functional simulations of silicon-containing point defects in diamond (2007) (54)
- The contribution made by lattice vacancies to the Wigner effect in radiation-damaged graphite (2013) (51)
- Identification of the tetra-interstitial in silicon (2001) (50)
- Calculated electron affinity and stability of halogen-terminated diamond (2011) (49)
- Self-interstitial clusters in silicon (2001) (48)
- Donor-vacancy complexes in Ge: Cluster and supercell calculations (2006) (47)
- Influence of dislocations on electron energy-loss spectra in gallium nitride (2002) (46)
- Dislocations in diamond: Electron energy-loss spectroscopy (2002) (45)
- Identification of the hydrogen-saturated self-interstitials in silicon and germanium (1998) (45)
- First stage of oxygen aggregation in silicon : the oxygen dimer (1998) (44)
- Nitrogen ion irradiation of Au(110): Photoemission spectroscopy and possible crystal structures of gold nitride (2004) (43)
- Boron-hydrogen complexes in diamond (2004) (43)
- Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition (2013) (41)
- Ripple edge engineering of graphene nanoribbons (2011) (41)
- Bromination of graphene and graphite (2011) (41)
- Self-interstitial in germanium. (2007) (39)
- Theoretical study of planar defects in silicon carbide (2002) (39)
- Low-energy termination of graphene edges via the formation of narrow nanotubes. (2011) (39)
- Vacancy- and acceptor-H complexes in InP (1996) (39)
- Influence of Ge content on the optical properties of X and W centers in dilute Si-Ge alloys (2011) (38)
- Deep hydrogen traps in heavily B-doped diamond (2003) (38)
- Pattern formation on carbon nanotube surfaces. (2006) (37)
- Acceptor level of nitrogen in diamond and the 270-nm absorption band (2009) (37)
- Density functional theory calculation of the DI optical center in SiC (2006) (36)
- Formation energy and migration barrier of a Ge vacancy from ab initio studies (2006) (36)
- Marker-method calculations for electrical levels using Gaussian-orbital basis sets (2006) (36)
- Dislocations in hexagonal and cubic GaN (2000) (36)
- Extended interplanar linking in graphite formed from vacancy aggregates. (2013) (35)
- Structure and properties of vacancy-oxygen complexes in Si1-xGex alloys (2004) (35)
- Density-functional study of small interstitial clusters in Si: Comparison with experiments (2005) (35)
- E center in silicon has a donor level in the band gap. (2006) (35)
- EPR of a defect in CVD diamond involving both silicon and hydrogen that shows preferential alignment (2010) (35)
- Identification of the hexavacancy in silicon with the B_4^80 optical center (2000) (35)
- Interstitial nitrogen and its complexes in diamond (2004) (34)
- Band-gap-related energies of threading dislocations and quantum wells in group-III nitride films as derived from electron energy loss spectroscopy (2002) (34)
- Electronic behavior of rare-earth dopants in AlN: A density-functional study (2005) (33)
- BN Domains Included into Carbon Nanotubes: Role of Interface (2009) (33)
- Tin-vacancy acceptor levels in electron-irradiated n-type silicon (2000) (32)
- Electronic and dynamical properties of the silicon trivacancy (2012) (32)
- Interaction of oxygen with threading dislocations in GaN (1999) (32)
- Single substitutional nitrogen defects revealed as electron acceptor states in diamond using ultrafast spectroscopy (2011) (32)
- Identification of boron clusters and boron-interstitial clusters in silicon (2003) (31)
- Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. (2005) (31)
- Straight and kinked 90 ° partial dislocations in diamond and 3C-SiC (2002) (31)
- Ab initio determination of electron-molecular vibration constants (em-v) in bis(ethylenedithio) tetrathiafulvalene (BEDT-TTF) and tetrathiafulvalene (TTF) (1993) (31)
- Quantitative density-functional study of nested fullerenes (1998) (30)
- Thermal double donors and quantum dots. (2001) (29)
- Theoretical studies on 〈100〉 dislocations in single crystal CVD diamond (2006) (29)
- The vacancy–nitrogen–hydrogen complex in diamond: a potential deep centre in chemical vapour deposited material (2003) (29)
- Theoretical study of Li and Na as n -type dopants for diamond (2007) (29)
- Electrical activity of carbon-hydrogen centers in Si (2002) (29)
- Molecular rectification with M|(D-σ-A LB film)|M junctions (1999) (29)
- Photoelastic constants in diamond and silicon (2006) (29)
- Theoretical Calculation of Stacking Fault Energies in Silicon Carbide (2002) (28)
- Oxygen vacancy migration in compressively strained SrTiO3 (2013) (28)
- On the diffusion of NV defects in diamond (2012) (27)
- P-type surface doping of diamond: a first-principles study (2001) (27)
- Tin-vacancy complex in germanium (2011) (26)
- Comment on “Electronic structure of the N- V center in diamond: Theory” (1997) (26)
- Doping of fluorographene by surface adsorbates (2011) (25)
- First-principles study of hydrogen and fluorine intercalation into graphene-SiC(0001) interface (2012) (25)
- The lattice location of Ni in diamond : a theoretical study (2004) (24)
- First principles method for the calculation of zero-field splitting tensors in periodic systems (2008) (24)
- Large spherical vacancy clusters in diamond - Origin of the brown colouration? (2009) (24)
- The divacancy in silicon and diamond (1999) (23)
- On the validity of empirical potentials for simulating radiation damage in graphite: a benchmark (2015) (23)
- Graphitization at diamond dislocation cores (2001) (23)
- Theory of dislocations in diamond and silicon and their interaction with hydrogen (2000) (23)
- First-principles studies of the effect of (001) surface terminations on the electronic properties of the negatively charged nitrogen-vacancy defect in diamond (2012) (22)
- Hydrogenation and oxygenation of the (100) diamond surface and the consequences for transfer doping (2005) (22)
- Shallow acceptors in GaN (2007) (22)
- Effect of stress on the energy levels of the vacancy-oxygen-hydrogen complex in Si (2003) (22)
- Electronic and structural properties of diamond (001) surfaces terminated by selected transition metals (2012) (21)
- Planar interstitial aggregates in Si (2002) (20)
- Passivation of copper in silicon by hydrogen (2005) (20)
- Diffusion of nitrogen in silicon (2005) (20)
- STEM plasmon spectroscopy of free standing graphene (2008) (20)
- First-principles investigation of a bistable boron-oxygen interstitial pair in Si (2006) (20)
- P‐doping of Si nanoparticles: The effect of oxidation (2012) (19)
- Structural and thermodynamic properties of water related defects in α-quartz (2005) (19)
- Carbon-tin defects in silicon (2001) (19)
- Calculated properties of point defects in Be-doped GaN (2003) (19)
- Donor levels for selected n-type dopants in diamond: A computational study of the effect of supercell size (2006) (19)
- Atomistic modeling of the polarization of nitrogen centers in diamond due to growth surface orientation (2013) (19)
- Identification of the dinitrogen (001) split interstitial H1a in diamond (2010) (19)
- The self-interstitial in silicon and germanium (2009) (19)
- Local vibrational modes of two neighboring substitutional carbon atoms in silicon (2000) (19)
- Resonant electronic coupling enabled by small molecules in nanocrystal solids. (2014) (19)
- ELECTRONIC STRUCTURE OF GASB/GAAS QUANTUM DOMES (1998) (18)
- Effect of oxidation on the doping of silicon nanocrystals with group III and group v elements (2012) (18)
- Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate (2011) (18)
- Calculation of deep states in SiGe alloys: Interstitial carbon-oxygen complexes (2004) (18)
- Early stage donor-vacancy clusters in germanium (2007) (17)
- Local Vibrational Modes of Weakly Bound O-H Complexes in SI (1997) (17)
- Doping of graphene : Density functional calculations of charge transfer between GaAs and carbon nanostructures (2008) (17)
- Calculation of deep carrier traps in a divacancy in germanium crystals (2006) (17)
- Phosphorus-related deep donor in SiC (2000) (17)
- Electronic Localization around Stacking Faults in Silicon Carbide (2002) (17)
- Ab initio study of 3C inclusions and stacking fault–stacking fault interactions in 6H-SiC (2003) (17)
- Impact of tensile strain on the oxygen vacancy migration in SrTiO3: Density functional theory calculations (2013) (17)
- Observation and theory of the V-O-H-2 complex in silicon (2000) (17)
- Stress tensors and dilatation of interstitial defects in diamond (2001) (17)
- Unexpected change in the electronic properties of the Au-graphene interface caused by toluene (2010) (16)
- A new type of quantum wells: stacking faults in silicon carbide (2003) (16)
- Electrical and optical properties of rod-like defects in silicon (2004) (16)
- Optical and electrical properties of vanadium and erbium in 4H-SiC (2004) (16)
- Evidence for H2∗ trapped by carbon impurities in silicon (2001) (16)
- DFT study of the chemistry of sulfur in graphite, including interactions with defects, edges and folds (2013) (16)
- Early SiO2 precipitates in Si: Vacancy-oxygen versus interstitial-oxygen clusters (2006) (15)
- Electronic properties, doping, and defects in chlorinated silicon nanocrystals (2011) (15)
- Carbon nanotubes and their interaction with the surface of diamond (2007) (15)
- Ab initio investigation of phosphorus diffusion paths in germanium (2008) (15)
- Dissociation of B-H pairs in diamond as enhanced by electronic excitation and electron capture: Computational modeling (2008) (15)
- The formation, dissociation and electrical activity of divacancy-oxygen complexes in Si (2003) (15)
- Nitrogen-pair paramagnetic defects in diamond: A density functional study (2009) (14)
- Thermal double donors in Si and Ge (2001) (14)
- Interstitial H2 in germanium by Raman scattering and ab initio calculations (2005) (14)
- Light induced degradation in B doped Cz‐Si solar cells (2012) (14)
- Theory of boron-vacancy complexes in silicon (2005) (14)
- First Principles Study of the Self-Interstitial Defect in Diamond (2001) (14)
- Formation of BiOi, BiCs, and BiBsHi defects in e-irradiated or ion-implanted silicon containing boron (2003) (14)
- Erratum: Vacancy-impurity complexes and limitations for implantation doping of diamond [Phys. Rev. B72, 035214 (2005)] (2006) (14)
- Intrinsic defects and the D1 to D4 optical bands detected in plastically deformed Si (2000) (13)
- Electrical and optical properties of multivacancy centres in diamond (2007) (13)
- Tin-vacancy complexes in silicon (2001) (13)
- The electronic properties of transition metal hydrogen complexes in silicon (1999) (13)
- Theoretical Study of Cubic Polytype Inclusions in 4H-SiC (2002) (13)
- Glide dislocations in diamond: first-principles calculations of similarities with and differences from silicon and the effects of hydrogen (2002) (13)
- First Principles Studies of H in Diamond (2001) (13)
- Stacking- and chirality-dependent collapse of single-walled carbon nanotubes: A large-scale density-functional study (2019) (13)
- Structural and electronic properties of thin fluorite‐structure NiSi2, CoSi2 and FeSi2 interfaces and precipitates in Si (2005) (13)
- Density functional study of oxygen migration processes for silicon quantum dots (2007) (13)
- Ab initio study of CsI and its surface (2006) (13)
- Density functional simulations of noble-gas impurities in diamond (2009) (12)
- Optical bands related to dislocations in Si (2000) (12)
- A density functional theory study of models for the N3 and OK1 EPR centres in diamond (2010) (12)
- Interstitial boron defects in Si (2003) (12)
- Calculated properties of nitrogen-vacancy complexes in beryllium- and magnesium-doped GaN (2003) (12)
- Metastable VO2 Complexes in Silicon: Experimental and Theoretical Modeling Studies (2005) (12)
- Intrinsic defects in CdTe and CdZnTe alloys (2009) (11)
- Basal plane partial dislocations in silicon carbide (2003) (11)
- Electrical activity of Er and Er-O centers in silicon (2005) (11)
- Theory of the surface effects on the luminescence of the NV− defect in nanodiamond (2011) (11)
- Effect of charge on the movement of dislocations in SiC (2006) (11)
- Intrinsic defect complexes in CdTe and ZnTe (2011) (11)
- Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium (2006) (11)
- SUBSTITUTIONAL CARBON IN SI1-XGEX (1999) (11)
- Combined infrared absorption and modeling study of a dicarbon-dihydrogen defect in silicon (2000) (11)
- Optical and electrical activity of boron interstitial defects in Si (2003) (11)
- Structural and electronic properties of GaN nanowires with embedded InxGa1−xN nanodisks (2015) (11)
- Mass transport in porous media from first principles: An experimental and theoretical study (2012) (11)
- Enhanced H2 catalytic formation on specific topological defects in interstellar graphenic dust grain models (2010) (11)
- Hydrogen storage in the manganese containing metal–organic framework MOF-73 (2013) (11)
- Point and extended defects in chemical vapour deposited diamond (2011) (11)
- Relationship between binding site and pressure dependence for defect-hydrogen complexes in ZnO (2006) (11)
- Assignment of 13C hyperfine interactions in the P1-center in diamond (2016) (11)
- Raman scattering observations and ab initio models of dicarbon complexes in AlAs (1999) (11)
- Electronic structure, impurity binding energies, absorption spectra of InAs/GaAs quantum dots (1998) (11)
- Electron paramagnetic resonance of sulfur at a split-vacancy site in diamond (2008) (11)
- Electronic structure of divacancy?hydrogen complexes in silicon (2003) (11)
- Strong compensation of n-type Ge via formation of donor-vacancy complexes (2007) (10)
- Surface-state dependent optical properties of OH-, F-, and H-terminated 4H-SiC quantum dots. (2016) (10)
- Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60. (2016) (10)
- Theory of Nitrogen Aggregates in Diamond: The H3 and H4 Defects (1993) (10)
- Nitrogen segregation in nanocarbons. (2014) (10)
- The effect of progressive oxidation on the optical properties of small Silicon Quantum Dots: A computational study (2008) (10)
- Ni Complexes in Diamond (1995) (10)
- The structures and properties of tetrafluoromethane, hexafluoroethane, and octafluoropropane using the AIMPRO density functional program (2003) (10)
- Electronic structure modification of Si nanocrystals with F(4)-TCNQ (2011) (10)
- A Theoretical Study of Copper Contaminated Dislocations in Silicon (2007) (9)
- Nitrogen-hydrogen defects in GaP (1998) (9)
- Energies and electronic properties of isolated and interacting twin boundaries in 3C-SiC, Si, and diamond (2003) (9)
- Structure and vibrational properties of oxohalides of vanadium. (2009) (9)
- Bromine functionalisation of diamond: An ab initio study (2012) (9)
- Adsorbate-localized states at water-covered (100) SrTiO3 surfaces (2011) (9)
- Electronic Properties and Structure of a Complex Incorporating a Self-Interstitial and two Oxygen Atoms in Silicon (2005) (9)
- Weakly bound carbon-hydrogen complex in silicon (2000) (8)
- Electron-affinity and surface-stability of aluminium-oxide terminated diamond surfaces (2019) (8)
- Erratum: Degradation of Boron-Doped Czochralski-Grown Silicon Solar Cells [ Phys. Rev. Lett. 93, 055504 (2004)] (2004) (8)
- Isotopic effects on vibrational modes of thermal double donors in Si and Ge (2001) (8)
- Localized interface states and the optical spectra of AlSb/InAs heterostructures (1998) (8)
- Carbon Atoms Catalyse Fullerene Growth (1997) (8)
- Ab-initio vibrational properties of SiGe alloys (2008) (8)
- Boron doped Si nanoparticles: the effect of oxidation (2013) (8)
- Nitrogen related shallow thermal donors in silicon (2007) (8)
- The influence of structural characteristics on the electronic and thermal properties of GaN/AlN core/shell nanowires (2016) (8)
- A Density Functional Study of Iron Segregation at ISFs and Σ5-(001) GBs in mc-Si (2015) (8)
- First-principles study of Fe and FeAl defects in SiGe alloys (2008) (8)
- Bistable N2–H complexes: The first proposed structure of a H-related colour-causing defect in diamond (2011) (8)
- Transfer doping of diamond: The use of C60 and C60F36 to effect p-type surface conductivity (2006) (7)
- Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN (2002) (7)
- Theory of Gold-Hydrogen Complexes in Silicon (1997) (7)
- Role of extended defects in brown colouration of diamond (2007) (7)
- Self-interstitial–hydrogen complexes in silicon (1999) (7)
- Theory of Nitrogen and Platelets in Diamond (1992) (7)
- Electronic and vibrational properties of Mg- and O-related complexes in GaN (2001) (7)
- N2 and N4 optical transitions in diamond : a breakdown of the vacancy model (1997) (7)
- Hydrogen passivation of titanium impurities in silicon: Effect of doping conditions (2014) (7)
- The energetics of hydrogenic reactions at diamond surfaces calculated by a local spin-density functional theoretical method (1994) (7)
- Doubly charged silicon vacancy center, Si-N complexes, and photochromism in N and Si codoped diamond (2020) (7)
- Structure of tin-vacancy defects in silicon (2002) (7)
- Interlayer vacancy defects in AA-stacked bilayer graphene: density functional theory predictions (2017) (7)
- Local-density-functional calculations of the vacancy-oxygen center in Ge (2007) (7)
- Localised vibrational modes of hydrogen-impurity complexes in GaAs (1991) (7)
- Structure and Electronic Properties of Nitrogen Defects in Silicon (2003) (7)
- Hydrogen molecules and platelets in germanium (2006) (7)
- Thermodynamic stability and electronic properties of F‐ and Cl‐terminated diamond (2012) (7)
- Optically active erbium–oxygen complexes in GaAs (2004) (7)
- First principles calculation of zero-field splitting tensors (2003) (7)
- Self-assembly of a bis(adeninyl)-Cu(I) complex: a cationic nucleobase duplex mimic. (2009) (7)
- Platelets and the 110 a0 4 {001} stacking fault in diamond (2006) (7)
- Model thermodynamics and the role of free-carrier energy at high temperatures: Nitrogen and boron pairing in diamond (2009) (6)
- Mapping the stacking interaction of triphenyl vinylene oligomers with graphene and carbon nanotubes (2019) (6)
- First-principles study on the local vibrational modes of nitrogen-oxygen defects in silicon (2007) (6)
- Vacancy-hydrogen complexes in germanium (1999) (6)
- Modelling the effect of doping metallic carbon nanotubes on their ability to transfer‐dope diamond (2007) (6)
- Spin density distributions on graphene clusters and ribbons with carbene-like active sites. (2018) (6)
- Over-coordinated oxygen in the interstitial carbon-oxygen complex (2001) (6)
- Transition-metal and hydrogen in ZnO: A source of shallow donors (2006) (6)
- Anomalous Shift of the 1075 cm-1 Oxygen-Hydrogen Defect in Silicon (1997) (6)
- Piezospectroscopic analysis of the hydrogen-carbon complexes in silicon (2001) (6)
- Stacking Fault – Stacking Fault Interactions and Cubic Inclusions in 6H-SiC: an Ab Initio Study (2003) (6)
- Shallow donors in diamond: pnictogen and chalcogen hydrogen defects (2003) (6)
- Movement and pinning of dislocations in SiC (2007) (6)
- Ab initio modeling of defect levels in Ge clusters and supercells (2006) (6)
- Density-functional calculations of carbon diffusion in GaAs (1999) (6)
- Stability of singly hydrated silanone on silicon quantum dot surfaces: density functional simulations. (2008) (6)
- Behavior of hydrogen ions, atoms, and molecules in a-boron studied using density functional calculations (2011) (6)
- Ab initio modeling of interstitial oxygen in crystalline SiGe alloys (2006) (6)
- Trivacancy in silicon: A combined DLTS and ab-initio modeling study (2009) (5)
- Characterization of a Hexagonal Phosphorus Adlayer on Platinum (111) (2015) (5)
- Density-functional calculations of carbon doping in III-V compound semiconductors (2001) (5)
- Static and dynamic buckling of reconstructions at triple steps on Si(111) surfaces (2014) (5)
- Density functional studies of muonium in nitrogen aggregate containing diamond: the MuX centre (2009) (5)
- Ab‐initio modeling of a‐Si and a‐Si:H (2010) (5)
- Theory of MnGa-H and other acceptor-H complexes in GaAs (2005) (5)
- The Trivacancy and Trivacancy-Oxygen Family of Defects in Silicon (2013) (5)
- Theoretical study on the adsorption of armchair carbon nanotubes on the hydrogenated surface of diamond (2006) (5)
- Electronic properties of vacancy-oxygen complexes in SiGe alloys (2003) (5)
- Local vibrational modes of N2−On defects in Cz-Silicon (2007) (5)
- Metastable Frenkel pairs and the W11--W14 electron paramagnetic resonance centers in diamond (2007) (5)
- The structural properties of transition metal hydrogen complexes in silicon (1999) (5)
- Energetics of fullerene isomer transformation (1996) (5)
- Ab-initio modeling of carbon and carbon-hydrogen defects in InAs (2007) (5)
- Germanium-hydrogen pairs in silicon (2003) (5)
- Electrical activity of multivacancy defects in silicon (2012) (5)
- Studies of the VO centre in Ge using first principles cluster calculations (2006) (5)
- Interlayer vacancy diffusion and coalescence in graphite (2014) (5)
- Identification of the local vibrational modes of small nitrogen clusters in dilute GaAsN (2007) (5)
- Mechanical properties of nanosheets and nanotubes using a new geometry independent volume definition (2012) (4)
- Calculated strain response of vibrational modes for H-containing point defects in diamond. (2011) (4)
- Small aggregates of interstitials and models for platelets in diamond (2000) (4)
- Mechanism for dicarbon defect formation in AlAs and GaAs (1999) (4)
- Complexes of self-interstitials with oxygen atoms in germanium (2008) (4)
- Calculated properties of a 113 planar vacancy aggregate in Si (2004) (4)
- Ab initio investigation of phosphorus and boron diffusion in germanium (2008) (4)
- Theory of Mn H co-doping for GaAs and related magnetic semiconductors (2006) (4)
- Modelling electron energy-loss spectra of dislocations in silicon and diamond (2001) (4)
- Quantum mechanical modelling of defects in semiconductors (2004) (4)
- Di‐Carbon Complexes in AlAs and GaAs (1998) (4)
- Molecular hydrogen traps within silicon (1999) (4)
- Hydrogen self-trapping near silicon atoms in Ge-rich SiGe alloys (2006) (4)
- (CAs)2-hydrogen defects in GaAs : a first-principles study (1997) (4)
- A computational study of nanodiamond surface radicals and nitrogen-vacancy charge fluctuations (2020) (4)
- The formation of nanopipes caused by donor impurities in GaN: A theoretical study for the case of oxygen (1999) (4)
- Modelling carbon for industry: Radiolytic oxidation (2000) (4)
- Ro-vibrational modes of H2 in 4H-SiC and 2H-GaN (2003) (4)
- Identification of stable and metastable forms of VO2 centers in germanium (2007) (4)
- Inducing energy gaps in graphene monolayer and bilayer (2008) (4)
- Hydrogen molecules in 4H-SiC and 2H-GaN (2003) (4)
- Interaction between oxygen and single self-interstitials in silicon (2003) (4)
- Density-functional theory calculations on H defects in Si (2003) (4)
- Anharmonicity and lattice coupling of bond-centered hydrogen and interstitial oxygen defects in monoisotopic silicon crystals (2005) (4)
- Local vibrations on hydrogen dimers in dilute SiGe crystalline solutions (2005) (3)
- Theoretical investigation on the interaction of nitrogen with dislocations in single crystal CVD diamond (2008) (3)
- Interstitial Fe-pairs in silicon (2017) (3)
- The Hydrogen-Saturated Self-Interstitial in Silicon and Germanium (1997) (3)
- A First Principles Study of Interstitial Si in Diamond (1997) (3)
- Effect of the adsorption of ethylene carbonate on Si surfaces on the Li insertion behavior (2013) (3)
- Energy levels of atomic hydrogen in germanium from ab-initio calculations (2006) (3)
- Ab Initio Study of functionalized 1 nm Silicon Nanoparticles (2010) (3)
- The bonding of CAs acceptors in InxGa1−xAs grown by chemical beam epitaxy using carbon tetrabromide as the source of carbon (1996) (3)
- Determining addition pathways and stable isomers for CF3 functionalization of endohedral Gd@C60 (2018) (3)
- Interstitial aggregates in diamond (2001) (3)
- Electronic Structure of Twin Boundaries in 3C-SiC, Si and Diamond (2003) (3)
- LETTER TO THE EDITOR: Si/Ge self-assembled quantum dots for infrared applications (2001) (3)
- Low-Frequency Vibrational Spectroscopy in SiC Polytypes (2001) (3)
- Theoretical Investigations of the Energy Levels of Defects in Germanium (2005) (3)
- On the doping of graphene (2008) (3)
- Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes (2016) (3)
- Effective Mass of Electrons in Quantum-Well-Like Stacking-Fault Gap States in Silicon Carbide (2003) (3)
- Ab initio calculations on topological defects in amorphous phosphorus (1989) (3)
- Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys (2008) (3)
- Vibronic coupling constants in BEDT-TTF and C60 (1995) (3)
- Density functional theory study on magnetically detecting positively charged nitrogen-vacancy center in diamond (2019) (3)
- Mg-H and Be-H complexes in cubic boron nitride (2001) (3)
- Local Vibrations of Substitutional Carbon in SiGe Alloys (2006) (3)
- Interstitial carbon-related defects in Si1−xGex alloys (2007) (2)
- Platinum and gold dihydrides in silicon (2003) (2)
- Local vibrational mode bands of V-O-H complexes in silicon (1999) (2)
- Erratum: Importance of Quantum Tunneling in Vacancy-Hydrogen Complexes in Diamond [Phys. Rev. Lett. 95 , 105502 (2005)] (2005) (2)
- Electronic structural details of donor-vacancy complexes in Si-doped Ge and Ge-doped Si (2010) (2)
- Self-interstitials and Frenkel pairs in electron-irradiated germanium (2007) (2)
- Silicon and germanium terminated (001)-(2x1) diamond surface. (2019) (2)
- Ab initio modeling of Be-H and Zn-H complexes in Si (2003) (2)
- Theory of the NiH2 Complex in Si and the CuH2 Complex in GaAs (1995) (2)
- Density-functional theory study of Au, Ag and Cu defects in germanium (2008) (2)
- Local Density Functional Modelling of the Stone-Wales Transformation in Fullerenes (1995) (2)
- Limits to N-Type Doping in Ge: Formation of Donor-Vacancy Complexes (2008) (2)
- Hydrogen-related photoluminescent centers in SiC (2004) (2)
- Interstitial Hydrogen and the Dissociation of C-H Defects in GaAs (1995) (2)
- Mg–H and Be–H complexes in c-BN (2001) (2)
- Identification of the Hexavacancy in Silicon (1999) (2)
- Structure and electron affinity of the 4H–SiC (0001) surfaces: a methodological approach for polar systems (2021) (2)
- Stable Hydrogen Pair Trapped at Carbon Impurities in Silicon (2003) (2)
- Impact of grain boundary structures on trapping iron (2017) (2)
- Ab initio studies of arsenic and boron related defects in silicon mesa diodes (2007) (2)
- Prediction of disability-free survival in healthy older people (2022) (2)
- Insight into the Degradation Phenomenon in SiC Devices from Ab Initio Calculations of the Electronic Structure of Single and Multiple Stacking Faults (2003) (2)
- Influence of Intercalated Silicon on the Transport Properties of Graphene (2011) (2)
- Structure and electron affinity of (1 12¯0)–X 4H–SiC surface (2020) (2)
- Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond. (2012) (2)
- Reconfigurations and diffusion of trivacancy in silicon (2012) (2)
- Local vibrations of interstitial carbon in SiGe alloys (2006) (2)
- Hyperfine interactions at nitrogen interstitial defects in diamond (2013) (2)
- Density Functional Based Modelling of 30° Partial Dislocations in SiC (2004) (1)
- Quantum mechanical modeling of the structure and doping properties of defects in diamond (2005) (1)
- An Ab Initio Study of Intrinsic Stacking Faults in GaN (2004) (1)
- Density functional calculations of carbon substituting for Zr in barium zirconate (2017) (1)
- Elastic and optical properties of Cu 2SZnSn(Se xS 1S x) 4S alloys: Density functional calculations (2012) (1)
- Primary Defects in n-Type Irradiated Germanium: A First-Principles Investigation (2007) (1)
- Identification of Nitrogen-Oxygen Defects in Silicon (2006) (1)
- Electronic structure of Zn, Cu and Ni impurities in germanium (2011) (1)
- Local vibrational modes of Zn–H–As defects in GaAs, ZnSe and ZnTe (2005) (1)
- Hyperfine interaction of H-divacancy in diamond (2020) (1)
- Erratum: Vacancy-impurity complexes and limitations for implantation doping of diamond (Physical Review B - Condensed Matter and Materials Physics (2005) 72 (035214)) (2006) (1)
- Volume expansion and stress tensors for self-interstitial aggregates in diamond (2001) (1)
- Ab-initio modeling of acceptor–hydrogen complexes in CdTe (2006) (1)
- First-Principle Study on the Identification of Nitrogen-Oxygen Defect Domplexes in Silicon (2006) (1)
- Ab initio modeling of N-H, P-H and As-H defects in ZnSe (2003) (1)
- THE TRI-INTERSTITIAL DEFECT IN SI (1)
- Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ. (2013) (1)
- Density functional theory study of substitutional oxygen in diamond (2016) (1)
- New stable hydrogenated graphene edge types: Klein edge and reconstructed Klein edge (2013) (1)
- Voids in silicon as a sink for interstitial iron: a density functional study (2017) (1)
- Electronic Properties of Stacking Faults in 15R-SiC (2003) (1)
- Interaction of Oxygen with Threading Dislocations in (1999) (1)
- Electronic and optical properties of chlorinated silicon nanoparticles. (2013) (1)
- Tuning Optoelectronic Properties of 4H-SiC QDs Using -H, -OH and -F Surface Functionalisation (2015) (1)
- Vibrational modes of sulfur defects in GaP (2003) (1)
- Structure and electrical activity of rare-earth dopants in selected III-Vs (2003) (1)
- Optically active hydrogen dimers in silicon (1999) (1)
- Theory of anharmonicity on bond-centered hydrogen oscillators in silicon (2006) (1)
- Theoretical Investigations of the Diffusion of Nitrogen-Pair Defects in Silicon (2005) (1)
- Theoretical Aspects on the Formation of the Tri-Interstitial Nitrogen Defect in Silicon (2007) (0)
- Supplementary material from "Determining addition pathways and stable isomers for CF 3 functionalization of endohedral Gd@C 60 " (2018) (0)
- Structural and Electrical Properties of Threading Dislocations in GaN (1997) (0)
- First Principles Study of the Stability and Diffusion Mechanism of a Carbon Vacancy in the Vicinity of a SiO2/4H–SiC Interface (2019) (0)
- Grown-in and radiation-induced defects in 4H-SiC (2005) (0)
- Theory of Nickel and and Nickel-hydrogen Complexes in Silicon (0)
- I4 IN SILICON: CORRELATION WITH EXPERIMENT (0)
- Transition Metal Oxide-Diamond Interfaces for Electron Emission Applications (2013) (0)
- Void Growth in Silicon as Sink for Interstitial Iron: First Principle Study (2016) (0)
- Local Vibrational Modes of Zn-H-P in GaP, InP and ZnTe (2007) (0)
- Erratum: Importance of quantum tunneling in vacancy-hydrogen complexes in diamond (vol 95, pg 105502 2005) (2005) (0)
- Vacancy Migration and Associated Charge-Transfer at the ZnS/CZTS Interface (2017) (0)
- THEORY OF INTERSTITIAL AGGREGATES IN GERMANIUM (0)
- Hydrogen passivated defects in InP (1995) (0)
- Density Functional Simulations of Physisorbed and Chemisorbed Single Graphene Layers on 4H-SiC (0001), (000-1) and 4H-SiC:H Surface (2010) (0)
- Substitutional copper and monovacancies in silicon (2006) (0)
- A FIRST PRINCIPLES STUDY OF SUBSTITUTIONAL GOLD IN GERMANIUM (1999) (0)
- Oxygen-Interstitials and Group-V Element Doping for p-Type ZnO (2013) (0)
- Theory of interstitial iron and its pair-formation in silicon (2016) (0)
- MATERIALS ENGINEERING | RESEARCH ARTICLE A study of polybromide chain formation using carbon nanomaterials via density functional theory approach (2016) (0)
- AIMview: a visualization system and STEM simulator for users of the AIMpro density functional electronic structure program (2009) (0)
- A Density Functional Study of interstitial iron and its pair-segregation at extended defects in mc-Si (2017) (0)
- Buckling of reconstruction elements of the edges of triple steps on vicinal Si(111) surfaces (2015) (0)
- Determining Volume of 2D nanomaterials and Hydrogenated Reconstructed Klein edges (2013) (0)
- Hydrogen-Impurity Complexes in GaAs (1991) (0)
- Density Functional Simulations of Transition Metal Terminated (001)-Diamond Surfaces (2012) (0)
- Local density functional modeling of diamond growth and graphitization (1995) (0)
- First principles study of the stability and diffusion mechanism of a carbon vacancy in the vicinity of a SiO (2020) (0)
- Ab initio studies of hydrogen molecules in silicon (1999) (0)
- Interstitial Carbon-Hydrogen Defects in Silicon (1997) (0)
- Ultra thin transition metal oxide coatings on diamond for thermionic applications (2013) (0)
- Vacancy-dioxygen centers in Si-rich SiGe alloys (2006) (0)
- Breakdown of the Vacancy Model for Impurity-Vacancy Defects in Diamond (1997) (0)
- The Piezo-Spectroscopic Strain-Tensor: An ab-initio approach (1996) (0)
- A FIRST PRINCIPLES STUDY OF NICKEL DEFECTS IN (0)
- Density functional investigation of boron incorporation in silicon-vacancy complexes (2020) (0)
- Theoretical Study of Polytype Inclusions in 4H-SiC (2002) (0)
- Interstitial Carbon-Related Defects in Si1-xGex Alloys (2007) (0)
- THEORY OF THE NiH 2 COMPLEX IN Si AND THE CuH 2 COMPLEX INGaAsR (2007) (0)
- Chemical edge engineering of Graphene Nano Ribbons: a DFT study (2011) (0)
- AbstractBistability of SiGa−SiGa pairs in MBE(001) δ-doped GaAs (1995) (0)
- Distorting graphene through mechanics and edge chemistry (2011) (0)
- LDF calculations on large fullerenes and onions (1997) (0)
- The Effect of Interface Engineering and Wave Function Localisation on Optical Response in Imperfect Type I and Type II Quantum Well Structures (1995) (0)
- FORMATION AND DIFFUSIVITY OF SMALL OXYGEN AGGREGATES IN SI AND GE (0)
- Vacancy- and Acceptor- H Complxes in Inp (1995) (0)
- Theoretical investigation on optical characteristics of functionalization silicon quantum dots (2010) (0)
- THE EUROPEAN PHYSICAL JOURNAL B Hydrogen adsorption on graphene : a first principles study (2010) (0)
- Theoretical study of gold trapped at dislocations in silicon (2007) (0)
- Electrical activity and migration of 90 degrees partial dislocations in SiC (2007) (0)
- Ab Initio Studies of Local Vibrations of Small Self-Interstitials Aggregates in Silicon (2005) (0)
- A theoretical investigation of transition metal defects trapped at dislocations in silicon (2006) (0)
- Back Cover (Phys. Status Solidi A 9/2010) (2010) (0)
- Theory of Electron Energy Loss Spectroscopy and its Application to Threading Edge Dislocations in GaN (2001) (0)
- First principles study of hydrogen-induced decoupling of epitaxial graphene from SiC substrates (2011) (0)
- First Principles Calculations of Hydrogen Aggregation in Silicon (2004) (0)
- Novel microscopic properties and the electronic structure of SiGe heterostructures and related systems (1997) (0)
- Low energy graphene edge termination via small diameter nanotube formation (2011) (0)
- Electronic properties and optical spectra of InAs/GaAs self-assembled quantum dots (1998) (0)
- Combined experimental and theoretical study of EEL spectroscopy of dislocations in wide band gap semiconductors (2003) (0)
- Modelling Carbon Nanotubes : Towards reality in carbon nanoscale materials (2008) (0)
- Doubly-charged silicon vacancy center, photochromism, and Si-N complexes in co-doped diamond (2020) (0)
- Ab initio study of CsI (2005) (0)
- Theory of Carbon-Vacancy Diffusion at the SiO2/4H-SiC Interface (2019) (0)
- Density functional based modelling of 30 degrees partial dislocations in SiC (2004) (0)
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