相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Microscopic origins of electron and hole stability in ZnO
C. Richard A. Catlow et al.
CHEMICAL COMMUNICATIONS (2011)
Electrodeposited lead dioxide coatings
Xiaohong Li et al.
CHEMICAL SOCIETY REVIEWS (2011)
Understanding the p-type defect chemistry of CuCrO2
David O. Scanlon et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory
Mario Burbano et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set
Fabien Tran et al.
PHYSICAL REVIEW B (2011)
Nature of the band gap of Tl2O3
Aoife B. Kehoe et al.
PHYSICAL REVIEW B (2011)
Tin dioxide from first principles: Quasiparticle electronic states and optical properties
A. Schleife et al.
PHYSICAL REVIEW B (2011)
Free energy of defect formation: Thermodynamics of anion Frenkel pairs in indium oxide
Aron Walsh et al.
PHYSICAL REVIEW B (2011)
Relativity and the Lead-Acid Battery
Rajeev Ahuja et al.
PHYSICAL REVIEW LETTERS (2011)
Band parameters and strain effects in ZnO and group-III nitrides
Qimin Yan et al.
SEMICONDUCTOR SCIENCE AND TECHNOLOGY (2011)
Oxygen interstitial structures in close-packed metal oxides
Alexey A. Sokol et al.
CHEMICAL PHYSICS LETTERS (2010)
Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology
Peter Agoston et al.
JOURNAL OF APPLIED PHYSICS (2010)
Undoped n-Type Cu2O: Fact or Fiction?
David O. Scanlon et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory
Jeremy P. Allen et al.
PHYSICAL REVIEW B (2010)
Branch-point energies and band discontinuities of III-nitrides and III-/II-oxides from quasiparticle band-structure calculations
A. Schleife et al.
APPLIED PHYSICS LETTERS (2009)
A study of core and valence levels in beta-PbO2 by hard X-ray photoemission
D. J. Payne et al.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2009)
Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2
Kate G. Godinho et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Screened hybrid density functionals for solid-state chemistry and physics
Benjamin G. Janesko et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Polaronic trapping of electrons and holes by native defects in anatase TiO2
Benjamin J. Morgan et al.
PHYSICAL REVIEW B (2009)
Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations
J. B. Varley et al.
PHYSICAL REVIEW B (2009)
Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment
David O. Scanlon et al.
PHYSICAL REVIEW LETTERS (2009)
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
Christoph Freysoldt et al.
PHYSICAL REVIEW LETTERS (2009)
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
Fumiyasu Oba et al.
PHYSICAL REVIEW B (2008)
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
Stephan Lany et al.
PHYSICAL REVIEW B (2008)
Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy
Aron Walsh et al.
PHYSICAL REVIEW LETTERS (2008)
Native point defects in ZnO
Anderson Janotti et al.
PHYSICAL REVIEW B (2007)
Nature of electronic states at the Fermi level of metallic β-PbO2 revealed by hard x-ray photoemission spectroscopy
D. J. Payne et al.
PHYSICAL REVIEW B (2007)
Experimental and theoretical study of the electronic structures of alpha-PbO and beta-PbO2
David J. Payne et al.
JOURNAL OF MATERIALS CHEMISTRY (2007)
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
Juan E. Peralta et al.
PHYSICAL REVIEW B (2006)
Band offsets of high K gate oxides on III-V semiconductors
J. Robertson et al.
JOURNAL OF APPLIED PHYSICS (2006)
First-principles study of native defects in anatase TiO2
S Na-Phattalung et al.
PHYSICAL REVIEW B (2006)
Linear optical properties in the projector-augmented wave methodology
M Gajdos et al.
PHYSICAL REVIEW B (2006)
Why is lead dioxide metallic?
DJ Payne et al.
CHEMICAL PHYSICS LETTERS (2005)
First-principles calculations for defects and impurities: Applications to III-nitrides
CG Van de Walle et al.
JOURNAL OF APPLIED PHYSICS (2004)
Basic materials physics of transparent conducting oxides
PP Edwards et al.
DALTON TRANSACTIONS (2004)
Metallic properties of lead dioxide.: Band structure and NMR of 207Pb at low temperatures
LA Boyarskii et al.
LOW TEMPERATURE PHYSICS (2002)