Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Chris G. Van de Walle

(InxGa1−x)2O3alloys for transparent electronics

scholarly article in Physical Review B, vol. 92 no. 8, August 2015

A pathway to p-type wide-band-gap semiconductors

Ab initio study of hydrogenic effective mass impurities in Si nanowires

scientific article published on 6 January 2017

Absolute deformation potentials and band alignment of wurtzite ZnO, MgO, and CdO

scholarly article in Physical Review B, vol. 75 no. 12, March 2007

Absolute surface energies of polar and nonpolar planes of GaN

scholarly article in Physical Review B, vol. 89 no. 8, February 2014

Acceptor doping in ZnSe versus ZnTe

Acceptor doping in the proton conductor SrZrO3.

scientific article

Accurate and efficient band-offset calculations from density functional theory

scholarly article

Advances in electronic structure methods for defects and impurities in solids

Alternative sources of p-type conduction in acceptor-doped ZnO

Ambipolar doping in SnO

Anomalous Auger Recombination in PbSe

scientific article published on 01 July 2020

Arsenic impurities in GaN

scholarly article by Chris G Van de Walle & J. Neugebauer published 21 February 2000 in Applied Physics Letters

Atomic and Electronic Structure of Si-Ge Superlattices

scientific article published in Physical Review Letters

Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials

Atomic and electronic structure ofCaSi2/Si interfaces

scientific article published on 01 May 1991

Atomic arrangement at the AlN/SiC interface

scientific article published on 01 March 1996

Atomic geometry and electronic structure of native defects in GaN

article

Auger recombination rates in nitrides from first principles

article by Kris T. Delaney et al published 11 May 2009 in Applied Physics Letters

BaSnO3 as a channel material in perovskite oxide heterostructures

article published in 2016

Band alignment at band-insulator/Mott-insulator interfaces

Band alignments and polarization properties of BN polymorphs

Band bowing and band alignment in InGaN alloys

Band discontinuities at heterojunctions between crystalline and amorphous silicon

Band gap changes of GaN shocked to 13 GPa

Band lineups and deformation potentials in the model-solid theory

scientific article

Band offsets at interfaces between HgTe, CdTe, and InSb

article

Band offsets in complex-oxide thin films and heterostructures of SrTiO3/LaNiO3 and SrTiO3/GdTiO3 by soft and hard X-ray photoelectron spectroscopy

Band parameters and strain effects in ZnO and group-III nitrides

Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations

CW Operation of InGaN MQW Laser Diodes

Calcium as a nonradiative recombination center in InGaN

scientific article published on 13 January 2017

Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride ⬇️

scholarly article

Carbon impurities and the yellow luminescence in GaN

article by J. L. Lyons et al published 11 October 2010 in Applied Physics Letters

Carbon-induced trapping levels in oxide dielectrics

Carbon-nitrogen molecules in GaAs and GaP

scholarly article in Physical Review B, vol. 77 no. 19, May 2008

Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide

scholarly article published on 29 June 2018

Causes of incorrect carrier-type identification in van der Pauw–Hall measurements

article published in 2008

Chemical trends for acceptor impurities in GaN

article by Jörg Neugebauer & Chris G Van de Walle published March 1999 in Journal of Applied Physics

Clean and As-Covered Zinc-Blende GaN (001) Surfaces: Novel Surface Structures and Surfactant Behavior

scientific article published in Physical Review Letters

Comment on "Electron Paramagnetic Resonance of Molecular Hydrogen in Silicon"

scientific article published in Physical Review Letters

Comment on ‘‘Heterojunction valence-band-discontinuity dependence on face orientation’’

scientific article published on 01 March 1988

Comment on ‘‘Reduction of hot electron degradation in metal oxide semiconductor transistors by deuterium processing’’ [Appl. Phys. Lett. 68, 2526 (1996)]

article

Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”

scientific article published on 23 February 2018

Computational studies of conductivity in wide-band-gap semiconductors and oxides ⬇️

scientific article published on January 24, 2008

Conductivity and transparency of TiO2from first principles

Confinement effects on valence-subband character and polarization anisotropy in (112¯2) semipolar InGaN/GaN quantum wells

Controlling n-Type Doping in MoO3

Controlling the conductivity of InN

Controlling the density of the two-dimensional electron gas at the SrTiO3/LaAlO3interface

scholarly article in Physical Review B, vol. 86 no. 24, December 2012

Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides ⬇️

DX-center formation in wurtzite and zinc-blendeAlxGa1−xN

scholarly article in Physical Review B, vol. 57 no. 4, January 1998

Dangling Bonds in Hexagonal Boron Nitride as Single-Photon Emitters

scientific article published on 01 September 2019

Dangling bonds and vacancies in germanium

scholarly article by J. R. Weber et al published 14 January 2013 in Physical Review B

Dangling-bond defects and hydrogen passivation in germanium

scholarly article by J. R. Weber et al published October 2007 in Applied Physics Letters

Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate ⬇️

scientific article published on January 25, 2012

Deep acceptors and their diffusion in Ga2O3

Deep donor state of the copper acceptor as a source of green luminescence in ZnO

Deep‐Level Defects and Impurities in InGaN Alloys ⬇️

scholarly article

Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial

scientific article published in Physical Review Letters

Defect analysis and engineering in ZnO

article

Defect identification based on first-principles calculations for deep level transient spectroscopy

Defects as qubits in3C−and4H−SiC

scholarly article in Physical Review B, vol. 92 no. 4, July 2015

Defects at Ge/oxide and III–V/oxide interfaces

Defects in AlN as candidates for solid-state qubits

scholarly article in Physical Review B, vol. 93 no. 16, April 2016

Defects in SiC for quantum computing

Defects, doping, and interfaces in III-V nitrides

Dehydrogenation of AlH3 via the Vacancy Clustering Mechanism

Density-functional calculations for III-V nitrides using the local-density approximation and the generalized gradient approximation

scholarly article in Physical Review B, vol. 59 no. 8, February 1999

Depth-Resolved Composition and Electronic Structure of Buried Layers and Interfaces in a LaNiO 3 /SrTiO 3 Superlattice from Soft- and Hard- X-ray Standing-Wave Angle-Resolved Photoemission

article

Design and performance of asymmetric waveguide nitride laser diodes

Determination of Internal Loss in Nitride Lasers from First Principles

article published in 2010

Determination of the Mott-Hubbard gap inGdTiO3

scholarly article in Physical Review B, vol. 92 no. 8, August 2015

Diffusivity of native defects in GaN

article published in 2004

Direct View at Excess Electrons inTiO2Rutile and Anatase ⬇️

scientific article published in Physical Review Letters

Dissipation-factor-based criterion for the validity of carrier-type identification by capacitance-voltage measurements

Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions

Distribution of donor states on etched surface of AlGaN/GaN heterostructures

scientific article

Donor defects and small polarons on the TiO2(110) surface

Dopants and defects in GaN

Doping limits in ZnSe

Doping of AlxGa1−xN

article published in 1998

Doping of AlxGa1−xN alloys

Dual behavior of excess electrons in rutile TiO2

Effect of Si doping on strain, cracking, and microstructure in GaN thin films grown by metalorganic chemical vapor deposition

article published in 2000

Effect of Si doping on the strain and defect structure of GaN thin films

Effect of Titanium Induced Chemical Inhomogeneity on Crystal Structure, Electronic Structure, and Optical Properties of Wide Band Gap Ga<sub>2</sub>O<sub>3</sub> ⬇️

scholarly article

Effect of composition on the band gap of strained InxGa1−xN alloys

article

Effect of transition-metal additives on hydrogen desorption kinetics of MgH2

Effects of Hydrogen on the Electronic Properties of Dilute GaAsN Alloys

scientific article published in Physical Review Letters

Effects of La 5d and 4f states on the electronic and optical properties of LaAlO3

scholarly article in Physical Review B, vol. 94 no. 20, November 2016

Effects of N on the electronic structures of H defects in III–V semiconductors

article published in 2004

Effects of an Electrically Conducting Layer at the Zinc Oxide Surface

article

Effects of biaxial stress and layer thickness on octahedral tilts in LaNiO3

Effects of carbon on the electrical and optical properties of InN, GaN, and AlN

scholarly article in Physical Review B, vol. 89 no. 3, January 2014

Effects of cationdstates on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductors

scholarly article in Physical Review B, vol. 74 no. 4, July 2006

Effects of doping on the lattice parameter of SrTiO3

article published in 2012

Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors

article by J. L. Lyons et al published 7 January 2014 in Journal of Applied Physics

Effects of impurities on the lattice parameters of GaN

article

Effects of strain on band structure and effective masses in MoS2

scholarly article in Physical Review B, vol. 86 no. 24, December 2012

Effects of strain on the band structure of group-III nitrides

scholarly article in Physical Review B, vol. 90 no. 12, September 2014

Effects of strain on the electron effective mass in GaN and AlN

Effects of strain on the optical and vibrational properties of ZnSe-ZnSxSe1-x strained-layer superlattices

article

Effects of surface reconstructions on oxygen adsorption at AlN polar surfaces

Elastic Constants and Pressure-Induced Effects in MoS2

Electrical activity of hydrogen impurities in GaSb: First-principles calculations

scholarly article in Physical Review B, vol. 78 no. 3, July 2008

Electrical compensation mechanism in fluorine-doped SnO2

Electrically active Er doping in InAs, In0.53Ga0.47As, and GaAs

Electron and chemical reservoir corrections for point-defect formation energies

scholarly article in Physical Review B, vol. 93 no. 16, April 2016

Electronic and protonic conduction in LaFeO3

article published in 2017

Electronic materials theory: Interfaces and defects

Electronic properties of the (100) (Si)/(Ge) strained-layer superlattices

article

Electronic structure and phase stability ofGaAs1−xNxalloys

article

Electronic structure of a single-layer InN quantum well in a GaN matrix

Electronic structure of nitride surfaces

Electrostatic carrier doping of GdTiO3/SrTiO3 interfaces

Electrostatic interactions between charged defects in supercells

Energetic, spatial, and momentum character of the electronic structure at a buried interface: The two-dimensional electron gas between two metal oxides

scholarly article in Physical Review B, vol. 93 no. 24, June 2016

Energetics and Vibrational Frequencies of InterstitialH2Molecules in Semiconductors

scientific article published in Physical Review Letters

Energetics and vibrational frequencies of interstitial H2 molecules in semiconductors

article

Energetics of bond-centered hydrogen in strained Si-Si bonds

scientific article published on 01 January 1995

Energies of various configurations of hydrogen in silicon

article

Energy levels of isolated interstitial hydrogen in silicon

scholarly article in Physical Review B, vol. 64 no. 12, September 2001

Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1–x)S2x Alloys

Entropy-Driven Stabilization of a Novel Configuration for Acceptor-Hydrogen Complexes in GaN

scientific article published in Physical Review Letters

Erratum: Energies of various configurations of hydrogen in silicon [Phys. Rev. B49, 4579 (1994)]

scholarly article published in Physical Review B

Erratum: Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory [Phys. Rev. B80, 184110 (2009)]

scholarly article published in Physical Review B

Erratum: Optical characterization and band offsets in ZnSe-ZnSxSe1-x strained-layer superlattices

scientific article published on 01 January 1991

Erratum: “Auger recombination rates in nitrides from first principles” [Appl. Phys. Lett. 94, 191109 (2009)]

scholarly article published in Applied Physics Letters

Erratum: “Oxygen vacancies and donor impurities in β-Ga2O3” [Appl. Phys. Lett. 97, 142106 (2010)]

scholarly article published in Applied Physics Letters

Evidence for Oxygen DX Centers in AlGaN

article

Exchange of deeply trapped and interstitial hydrogen in silicon

scholarly article in Physical Review B, vol. 59 no. 8, February 1999

Exciton-dominated Dielectric Function of Atomically Thin MoS2 Films.

scientific article

Experimental electronic structure of In2O3and Ga2O3

First-Principles Analysis of Radiative Recombination in Lead-Halide Perovskites

First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO

scientific article published in Physical Review Letters

First-Principles Calculations of Point Defects for Quantum Technologies

First-Principles Investigations of Acceptors in ZnSe

First-Principles Optical Spectra forFCenters in MgO

scientific article published in Physical Review Letters

First-Principles Surface Phase Diagram for Hydrogen on GaN Surfaces

scientific article published in Physical Review Letters

First-principles analysis of electron transport in BaSnO3

scholarly article in Physical Review B, vol. 95 no. 20, May 2017

First-principles calculations for defects and impurities: Applications to III-nitrides

article by Chris G Van de Walle & Jörg Neugebauer published 15 April 2004 in Journal of Applied Physics

First-principles calculations for point defects in solids

article by Christoph Freysoldt et al published 28 March 2014 in Reviews of Modern Physics

First-principles calculations of diffusion coefficients: Hydrogen in silicon

scientific article published in Physical Review Letters

First-principles calculations of hyperfine parameters

scientific article published on 01 February 1993

First-principles calculations of indirect Auger recombination in nitride semiconductors ⬇️

scholarly article in Physical Review B, vol. 92 no. 3, July 2015

First-principles calculations of optical transitions at native defects and impurities in ZnO

First-principles calculations of solubilities and doping limits: Li, Na, and N in ZnSe

scientific article published on 01 April 1993

First-principles characterization of native-defect-related optical transitions in ZnO

First-principles investigation of visible light emission from silicon-based materials

scientific article published in Physical Review Letters

First-principles investigations of F and Cl impurities in NaAlH4

First-principles studies of beryllium doping of GaN

article by Chris G Van de Walle et al published 8 June 2001 in Physical Review B

First-principles study of antisite defects in perovskite stannates ⬇️

scholarly article

First-principles study of bandgap bowing in BGaN alloys

scholarly article

First-principles study of direct and indirect optical absorption in BaSnO3

First-principles study of native point defects in ZnO

article by A. F. Kohan et al published 1 June 2000 in Physical Review B

First-principles study of surface charging inLaAlO3/SrTiO3heterostructures

scholarly article in Physical Review B, vol. 92 no. 8, August 2015

First-principles study of the formation and migration of native defects inNaAlH4

scholarly article in Physical Review B, vol. 80 no. 22, December 2009

First-principles study of the mobility ofSrTiO3 ⬇️

article

First-principles study of vacancy-assisted impurity diffusion in ZnO

First-principles study of van der Waals interactions in MoS2 and MoO3.

scientific article published on 10 July 2014

First-principles theory of acceptors in nitride semiconductors

First-principles theory of nonradiative carrier capture via multiphonon emission ⬇️

scientific article published on 18 August 2014

First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres ⬇️

scientific article published on 17 July 2014

First‐Principles Simulation of Carrier Recombination Mechanisms in Halide Perovskites ⬇️

scholarly article

Fluorine-silicon reactions and the etching of crystalline silicon

scientific article published in Physical Review Letters

Formation and migration of charged native point defects inMgH2: First-principles calculations

scholarly article in Physical Review B, vol. 80 no. 6, August 2009

Free-carrier absorption in nitrides from first principles

article by Emmanouil Kioupakis et al published 2 June 2010 in Physical Review B

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

scientific article published in Physical Review Letters

Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2

Fundamental limits on the electron mobility of β-Ga2O3.

scientific article published on 26 April 2017

Fundamentals of zinc oxide as a semiconductor

Gallium vacancies and the yellow luminescence in GaN

scholarly article by Jörg Neugebauer & Chris G Van de Walle published 22 July 1996 in Applied Physics Letters

Gallium vacancy complexes as a cause of Shockley-Read-Hall recombination in III-nitride light emitters

scholarly article by Cyrus E. Dreyer et al published 4 April 2016 in Applied Physics Letters

Giant polarization charge density at lattice-matched GaN/ScN interfaces ⬇️

scholarly article

Group-V impurities inSnO2from first-principles calculations

article by J. B. Varley et al published 30 June 2010 in Physical Review B

Growth of In-doped ZnO films by metalorganic chemical vapor deposition on GaN(0001) templates

HYDROGEN IN SEMICONDUCTORS

High optical polarization ratio from semipolar (202¯1¯) blue-green InGaN/GaN light-emitting diodes

High-voltage field effect transistors with wide-bandgap β-Ga2O3 nanomembranes

article

Homoepitaxial growth and characterization of ZnO(0001) thin films grown by metalorganic chemical vapor epitaxy

Hybrid functional calculations of native point defects in InN

article published in 2011

Hybrid functional calculations of point defects and hydrogen inSrZrO3

scholarly article in Physical Review B, vol. 89 no. 18, May 2014

Hybrid functional calculations ofDXcenters in AlN and GaN

scholarly article in Physical Review B, vol. 89 no. 8, February 2014

Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN.

scientific article

Hybrid functional studies of the oxygen vacancy inTiO2

scholarly article in Physical Review B, vol. 81 no. 8, February 2010

Hybrid functional study of native point defects and impurities in ZnGeN2

Hydrogen as a Cause of Doping in Zinc Oxide

scientific article

Hydrogen as a shallow center in semiconductors and oxides

article by Chris G Van de Walle published January 2003 in Physica Status Solidi B

Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits

scientific article

Hydrogen donors inSnO2studied by infrared spectroscopy and first-principles calculations

scholarly article in Physical Review B, vol. 82 no. 19, November 2010

Hydrogen doping in indium oxide: An ab initio study

scholarly article by Sukit Limpijumnong et al published 9 November 2009 in Physical Review B

Hydrogen in GaN: Novel Aspects of a Common Impurity

scientific article published in Physical Review Letters

Hydrogen in oxides and nitrides: unexpected physics and impact on devices

Hydrogen in semiconductors and insulators

Hydrogen in silicon: Fundamental properties and consequences for devices

Hydrogen interactions with acceptor impurities inSnO2: First-principles calculations

article by J. B. Varley et al published 22 June 2009 in Physical Review B

Hydrogen interactions with self-interstitials in silicon

scientific article published on 01 November 1995

Hydrogen multicentre bonds

scientific article

Hydrogen passivation effect in nitrogen-doped ZnO thin films

Hydrogen passivation of impurities in Al(2)O(3).

scientific article

Hydrogen states in silicon

Hydrogen-induced metastable changes in the electrical conductivity of polycrystalline silicon

scientific article published in Physical Review Letters

Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study

scholarly article in Physical Review B, vol. 80 no. 21, December 2009

Hydrogen-related defects in ZnO studied by infrared absorption spectroscopy

scholarly article in Physical Review B, vol. 66 no. 16, October 2002

Hydrogen-related defects in sodium alanate

article

Hydrogenated cation vacancies in semiconducting oxides.

scientific article published on 3 August 2011

Hydrogenated vacancies and hidden hydrogen in SrTiO3

scholarly article in Physical Review B, vol. 89 no. 7, February 2014

Identification of Microscopic Hole-Trapping Mechanisms in Nitride Semiconductors

Identification of hydrogen configurations inp-type GaN through first-principles calculations of vibrational frequencies

article

Identification of yellow luminescence centers in Be-doped GaN through pressure-dependent studies

scientific article published on 15 May 2017

Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN

Impact of carbon and nitrogen impurities in high-κ dielectrics on metal-oxide-semiconductor devices

Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides

Impact of native defects in high-k dielectric oxides on GaN/oxide metal-oxide-semiconductor devices

Impact of nitrogen and carbon on defect equilibrium in ZrO 2

Impact of phonons and spin-orbit coupling on Auger recombination in InAs ⬇️

scholarly article

Impact of point defects on electrochromism in WO3

Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes

article by Emmanouil Kioupakis et al published 18 April 2011 in Applied Physics Letters

Indium incorporation and emission properties of nonpolar and semipolar InGaN quantum wells

scholarly article by Yuji Zhao et al published 14 May 2012 in Applied Physics Letters

Indium versus hydrogen-terminated GaN(0001) surfaces: Surfactant effect of indium in a chemical vapor deposition environment

scholarly article by John E. Northrup & Chris G Van de Walle published 24 May 2004 in Applied Physics Letters

Influence of Mg-doped barriers on semipolar (202¯1) multiple-quantum-well green light-emitting diodes

Influence of microstructure on the carrier concentration of Mg-doped GaN films

Influence of polarity on carrier transport in semipolar (2021¯) and (202¯1) multiple-quantum-well light-emitting diodes

Insulating state of ultrathin epitaxial LaNiO3thin films detected by hard x-ray photoemission

scholarly article in Physical Review B, vol. 84 no. 7, August 2011

Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory

article

Interactions between nitrogen, hydrogen, and gallium vacancies inGaAs1−xNxalloys

scholarly article by Anderson Janotti et al published 30 April 2003 in Physical Review B

Interband and polaronic excitations inYTiO3from first principles ⬇️

scholarly article in Physical Review B, vol. 90 no. 16, October 2014

Interfacial Cation-Defect Charge Dipoles in Stacked TiO2/Al2O3 Gate Dielectrics

scientific article

Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes

Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces

Introduction

Inverted Order of Acceptor and Donor Levels of Monatomic Hydrogen in Silicon

scientific article published in Physical Review Letters

Inverted order of acceptor and donor levels of monatomic hydrogen in silicon

scientific article published in Physical Review Letters

Ion-Transport Engineering of Alkaline-Earth Hydrides for Hydride Electrolyte Applications

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

Johnson, Herring, and Van de Walle Reply:

scientific article published in Physical Review Letters

LDA + U and hybrid functional calculations for defects in ZnO, SnO2, and TiO2

Large and composition-dependent band gap bowing in InxGa1−xN alloys

article

Large band gap bowing of InxGa1−xN alloys

LiH as a Li+ and H− ion provider ⬇️

Limitations of In2O3 as a transparent conducting oxide

scholarly article

Limitations to the room temperature mobility of two- and three-dimensional electron liquids in SrTiO3

article

Linear Hyperfine Tuning of Donor Spins in Silicon Using Hydrostatic Strain

scientific article published on 01 April 2018

MOCVD growth and characterization of AlGaInN multiple quantum well heterostructures and laser diodes

Magnesium incorporation in GaN grown by molecular-beam epitaxy

scholarly article by A. J. Ptak et al published 15 January 2001 in Applied Physics Letters

Measurement and Control of Single Nitrogen-Vacancy Center Spins above 600 K

Mechanism for the decomposition of lithium borohydride ⬇️

Mechanism of visible-light photocatalysis in nitrogen-doped TiO₂.

scientific article published in March 2011

Mechanisms for the decomposition and dehydrogenation of Li amide/imide ⬇️

scholarly article in Physical Review B, vol. 85 no. 6, February 2012

Mechanisms of dopant impurity diffusion in silicon

article

Mechanisms of equilibrium and nonequilibrium diffusion of dopants in silicon

scientific article published in Physical Review Letters

Metal versus insulator behavior in ultrathinSrTiO3-based heterostructures

scholarly article in Physical Review B, vol. 94 no. 3, July 2016

Metalorganic chemical vapor deposition of ZnO(0001) thin films on GaN(0001) templates and ZnO(0001) substrates

Metastability of Oxygen Donors in AlGaN

scientific article published in Physical Review Letters

Microscopic origins of surface states on nitride surfaces

article by Chris G Van de Walle & David Segev published 15 April 2007 in Journal of Applied Physics

Microscopic structure of the hydrogen-boron complex in crystalline silicon

scientific article published on 01 May 1989

Microscopic structure of the hydrogen-phosphorus complex in crystalline silicon

scientific article published on 01 February 1990

Microscopic theory of hydrogen in silicon devices

article published in 2000

Monolayer to Bulk Properties of Hexagonal Boron Nitride

Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides

scientific article published in Physical Review Letters

Nanomembrane β-Ga 2 O 3 high-voltage field effect transistors

article

Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials

article by Catherine Stampfl et al published 15 March 2000 in Physical Review B

Native defects and self-compensation in ZnSe

scientific article published on 01 May 1992

Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices

Native point defects and dangling bonds in α-Al2O3

Native point defects and impurities in hexagonal boron nitride

scientific article published on 18 June 2018

Native point defects in ZnO

scholarly article in Physical Review B, vol. 76 no. 16, October 2007

Native point defects inLaAlO3: A hybrid functional study

article

Nature and evolution of the band-edge states inMoS2: From monolayer to bulk

scholarly article in Physical Review B, vol. 90 no. 20, November 2014

Near-infrared absorption and semimetal-semiconductor transition in 2nm ErAs nanoparticles embedded in GaAs and AlAs

New insights into the role of native point defects in ZnO

article published in 2006

Nitrogen doping in ZnSe and ZnTe

Observation by resonant angle-resolved photoemission of a critical thickness for 2-dimensional electron gas formation in SrTiO3 embedded in GdTiO3

Optical characterization and band offsets in ZnSe-ZnSxSe1−xstrained-layer superlattices

scientific article published on 01 July 1988

Optical polarization characteristics of semipolar (303¯1) and (303¯1¯) InGaN/GaN light-emitting diodes ⬇️

scientific article published on January 14, 2013

Optimizing Proton Conductivity in Zirconates through Defect Engineering

scholarly article

Optimizing optical absorption of TiO2 by alloying with TiS2

Origin and passivation of fixed charge in atomic layer deposited aluminum oxide gate insulators on chemically treated InGaAs substrates

scholarly article by Byungha Shin et al published 12 April 2010 in Applied Physics Letters

Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces

Origins of optical absorption and emission lines in AlN

Oxidation and the origin of the two-dimensional electron gas in AlGaN/GaN heterostructures

Oxide interfaces for novel electronic applications

Oxygen vacancies and donor impurities in β-Ga2O3

Oxygen vacancies in ZnO

Passivation and Doping due to Hydrogen in III-Nitrides

Performance and optical gain characteristic of InGaN MQW laser diodes

Phase separation in InGaN multiple quantum wells annealed at high nitrogen pressures

Phase transformations upon doping in WO3.

scientific article published in June 2017

Phonon-Assisted Optical Absorption in Silicon from First Principles

scientific article published in Physical Review Letters

Physics and chemistry of hydrogen in the vacancies of semiconductors

scholarly article in Physical Review B, vol. 68 no. 8, August 2003

Physics of defects and hydrogen in dilute nitrides

Point defects in Al2O3 and their impact on gate stacks

Point defects, impurities, and small hole polarons inGdTiO3

scholarly article in Physical Review B, vol. 93 no. 11, March 2016

Point-defect kinetics in α - and γ -MgH 2

Point-defect-mediated dehydrogenation of AlH3

Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells

Polarization-Driven Topological Insulator Transition in aGaN/InN/GaNQuantum Well

scientific article published in Physical Review Letters

Polarons Get the Full Treatment ⬇️

scholarly article

Polycrystalline nitride semiconductor light-emitting diodes fabricated on quartz substrates

article by D. P. Bour et al published 17 April 2000 in Applied Physics Letters

Posner molecules: from atomic structure to nuclear spins

scientific article published on 30 January 2018

Properties of In-Doped ZnO Films Grown by Metalorganic Chemical Vapor Deposition on GaN(0001) Templates

Properties of ZnO(0001) layers grown by metalorganic chemical vapor deposition on GaN(0001) templates

Pseudopotential Pseudocredit

Publisher’s Note: “High optical polarization ratio from semipolar ((202¯1¯)) blue-green InGaN/GaN light-emitting diodes” [Appl. Phys. Lett. 99, 051109 (2011)]

Quantitative analysis of the polarization fields and absorption changes in InGaN/GaN quantum wells with electroabsorption spectroscopy

article published in 2002

Quantum computing with defects

scientific article

Quantum computing with defects

Reconstructions and origin of surface states on AlN polar and nonpolar surfaces

article

Role of Atomic Multiplets in the Electronic Structure of Rare-Earth Semiconductors and Semimetals

scientific article published in Physical Review Letters

Role of Si and Ge as impurities in ZnO

scholarly article in Physical Review B, vol. 80 no. 20, November 2009

Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study

article by Amra Peles & Chris G Van de Walle published 4 December 2007 in Physical Review B

Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors ⬇️

scientific article published on 25 May 2016

Role of hydrogen at germanium/dielectric interfaces

scholarly article by C.G. Van de Walle et al published November 2008 in Thin Solid Films

Role of hydrogen in doping of GaN

Role of hydrogen in surface reconstructions and growth of GaN

Role of native defects in wide-band-gap semiconductors

scientific article published in Physical Review Letters

Role of nitrogen vacancies in the luminescence of Mg-doped GaN

Role of oxygen vacancies in crystalline WO3

Role of self-trapping in luminescence andp-type conductivity of wide-band-gap oxides

scholarly article in Physical Review B, vol. 85 no. 8, February 2012

Role of strain in polarization switching in semipolar InGaN/GaN quantum wells

Room-Temperature Continuous-Wave Operation of InGaN Multiple Quantum Well Laser Diodes with an Asymmetric Waveguide Structure

Room-temperature continuous-wave operation of InGaN multiple-quantum-well laser diodes with an asymmetric waveguide structure

Self-Compensation and Doping Problems in ZnSe

Self-consistent band-gap corrections in density functional theory using modified pseudopotentials

scholarly article in Physical Review B, vol. 75 no. 3, January 2007

Shallow donor state of hydrogen in indium nitride

scholarly article by E. A. Davis et al published 27 January 2003 in Applied Physics Letters

Shallow versus deep nature of Mg acceptors in nitride semiconductors

scientific article published on 13 April 2012

Shedding light on doping of gallium nitride

scholarly article by John L. Lyons et al published 19 July 2012 in SPIE newsroom

Silicon-hydrogen bonding and hydrogen diffusion in amorphous silicon

scientific article published on 01 April 1995

Small hole polarons in rare-earth titanates

Small polarons and point defects in barium cerate

scholarly article in Physical Review B, vol. 92 no. 21, December 2015

Small valence-band offsets at GaN/InGaN heterojunctions

Solubilities, defect reactions and doping limits in ZnSe

Sources of Electrical Conductivity inSnO2

scientific article published in Physical Review Letters

Sources of unintentional conductivity in InN

Spin-polarized calculations and hyperfine parameters for hydrogen or muonium in GaAs

scientific article published on 01 February 1993

Spinning up quantum defects in 2D materials

scientific article published on 01 May 2020

Stability and mobility of native point defects in AlH3

article

Stability, diffusivity, and vibrational properties of monatomic and molecular hydrogen in wurtzite GaN

article

Step-flow growth of ZnO(0001) on GaN(0001) by metalorganic chemical vapor epitaxy

article by T. Ive et al published July 2008 in Journal of Crystal Growth

Strain and the interpretation of band-lineup measurements

scientific article published in Physical Review Letters

Strain effects and band parameters in MgO, ZnO, and CdO

Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN

Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities

article

Strained-layer interfaces between II–VI compound semiconductors

article published in 1988

Strategies for Controlling the Conductivity of Wide-Band-Gap Semiconductors

Strategies for p-type doping of ZnGeN2

Stretched-exponential relaxation modeled without invoking statistical distributions

scientific article published on 01 May 1996

Structural and electronic properties of Ga2O3-Al2O3 alloys

Structural and electronic properties ofSrZrO3and Sr(Ti,Zr)O3alloys

scholarly article in Physical Review B, vol. 92 no. 8, August 2015

Structural identification of hydrogen and muonium centers in silicon: First-principles calculations of hyperfine parameters

scientific article published in Physical Review Letters

Structural origins of the properties of rare earth nickelate superlattices

scholarly article in Physical Review B, vol. 87 no. 6, February 2013

Structure and energetics of nitride surfaces under MOCVD growth conditions

Structure and energetics ofLaAlO3(001) surfaces

scholarly article in Physical Review B, vol. 90 no. 23, December 2014

Structure and properties of hydrogen-impurity pairs in elemental semiconductors

scientific article published in Physical Review Letters

Structure, energetics, and dissociation of Si-H bonds at dangling bonds in silicon

scientific article published on 01 May 1994

Structure, energetics, and vibrational properties of Si-H bond dissociation in silicon

article

Sub-band-gap absorption in Ga2O3

Sulfur doping of AlN and AlGaN for improved n-type conductivity

Summary Abstract: Theoretical investigations of fluorine–silicon systems

Surface reconstructions on InN and GaN polar and nonpolar surfaces

article by David Segev & Chris G Van de Walle published February 2007 in Surface Science

Surprising stability of neutral interstitial hydrogen in diamond and cubic BN.

scientific article published on 21 January 2016

Technology development & design for 22 nm InGaAs/InP-channel MOSFETs

Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices

The Particle‐Size Dependence of the Activation Energy for Decomposition of Lithium Amide ⬇️

scientific article published on July 5, 2011

The electronic structure of β-Ga2O3

The role of native defects in the transport of charge and mass and the decomposition of Li4BN3H10 ⬇️

scientific article published on 22 October 2014

The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2

Theoretical aspects of hydrogen in crystalline semiconductors

Theoretical calculations of heterojunction discontinuities in the Si/Ge system

scientific article

Theoretical calculations of semiconductor heterojunction discontinuities

Theoretical investigation of native defects, impurities, and complexes in aluminum nitride

scholarly article by Catherine Stampfl & C. G. Van de Walle published 15 April 2002 in Physical Review B

Theoretical study of Schottky-barrier formation at epitaxial rare-earth-metal/semiconductor interfaces

scholarly article in Physical Review B, vol. 81 no. 16, April 2010

Theoretical study of Si/Ge interfaces

Theoretical study of band offsets at semiconductor interfaces

scientific article published on 01 May 1987

Theoretical study of the structural and electronic properties of strained ErAs

scholarly article in Physical Review B, vol. 77 no. 23, June 2008

Theory and Modeling of Oxide Semiconductors

Theory of Hydrogen Diffusion and Reactions in Crystalline Silicon

scientific article published in Physical Review Letters

Theory of defects, impurities, and doping in ZnSe

Theory of doping and defects in III–V nitrides

Theory of hydrogen diffusion and reactions in crystalline silicon

scientific article published on 01 May 1989

Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions

scientific article published on 18 May 2018

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

article by A. Schleife et al published 18 January 2011 in Physical Review B

Tuning bad metal and non-Fermi liquid behavior in a Mott material: Rare-earth nickelate thin films

scientific article

TurningSrTiO3into a Mott insulator

scholarly article in Physical Review B, vol. 90 no. 19, November 2014

Tutorial: Defects in semiconductors—Combining experiment and theory

Unexpectedly Strong Auger Recombination in Halide Perovskites

Universal alignment of hydrogen levels in semiconductors and insulators

Universal alignment of hydrogen levels in semiconductors, insulators and solutions.

scientific article published in June 2003

Vacancies and small polarons inSrTiO3

scholarly article in Physical Review B, vol. 90 no. 8, August 2014

Vacancy defects in indium oxide: An ab-initio study

scholarly article by Pakpoom Reunchan et al published May 2011 in Current Applied Physics

Vibrational signatures of OTe and OTe–VCd in CdTe: A first-principles study

article

Why nitrogen cannot lead to p-type conductivity in ZnO

scholarly article by J. L. Lyons et al published 21 December 2009 in Applied Physics Letters

sComment on ``Surface silicon-deuterium bond energy from gas-phase equilibration''

scholarly article in Physical Review B, vol. 55 no. 19, May 1997

‘‘Absolute’’ deformation potentials: Formulation and ab initio calculations for semiconductors

scientific article published in Physical Review Letters

Paulina is supported by:

About Paulina

Help