Related references
Note: Only part of the references are listed.Band-structure calculations for the 3d transition metal oxides in GW
Stephan Lany
PHYSICAL REVIEW B (2013)
Formation energies of group I and II metal oxides using random phase approximation
Jun Yan et al.
PHYSICAL REVIEW B (2013)
Intrinsic point defects in CuInSe2 and CuGaSe2 as seen via screened-exchange hybrid density functional theory
Johan Pohl et al.
PHYSICAL REVIEW B (2013)
Importance of the correct Fermi energy on the calculation of defect formation energies in semiconductors
D. West et al.
APPLIED PHYSICS LETTERS (2012)
Angle-resolved photoemission and quasiparticle calculation of ZnO: The need for d band shift in oxide semiconductors
Linda Y. Lim et al.
PHYSICAL REVIEW B (2012)
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
Vladan Stevanovic et al.
PHYSICAL REVIEW B (2012)
Semiconducting transition-metal oxides based on d5 cations: Theory for MnO and Fe2O3
Haowei Peng et al.
PHYSICAL REVIEW B (2012)
New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals
R. Ramprasad et al.
PHYSICAL REVIEW LETTERS (2012)
Defect levels through hybrid density functionals: Insights and applications
Audrius Alkauskas et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2011)
Formation enthalpies by mixing GGA and GGA plus U calculations
Anubhav Jain et al.
PHYSICAL REVIEW B (2011)
Many-body GW calculation of the oxygen vacancy in ZnO
Stephan Lany et al.
PHYSICAL REVIEW B (2010)
Hybrid functional studies of the oxygen vacancy in TiO2
A. Janotti et al.
PHYSICAL REVIEW B (2010)
Energy levels of oxygen vacancies in BiFeO3 by screened exchange
S. J. Clark et al.
APPLIED PHYSICS LETTERS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Accurate prediction of defect properties in density functional supercell calculations
Stephan Lany et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2009)
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
Stephan Lany et al.
PHYSICAL REVIEW B (2009)
Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and the GW Approach for the Silicon Self-Interstitial
Patrick Rinke et al.
PHYSICAL REVIEW LETTERS (2009)
Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment
David O. Scanlon et al.
PHYSICAL REVIEW LETTERS (2009)
Intrinsic n-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO
Peter Agoston et al.
PHYSICAL REVIEW LETTERS (2009)
Accurate Bulk Properties from Approximate Many-Body Techniques
Judith Harl 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)
Semiconductor thermochemistry in density functional calculations
Stephan Lany
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)
Band offsets at the Si/SiO2 interface from many-body perturbation theory
R. Shaltaf et al.
PHYSICAL REVIEW LETTERS (2008)
Defect energy levels in density functional calculations: Alignment and band gap problem
Audrius Alkauskas et al.
PHYSICAL REVIEW LETTERS (2008)
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sanchez et al.
PHYSICAL REVIEW LETTERS (2008)
Native point defects in ZnO
Anderson Janotti et al.
PHYSICAL REVIEW B (2007)
Implementation and performance of the frequency-dependent GW method within the PAW framework
M. Shishkin et al.
PHYSICAL REVIEW B (2006)
Hybrid functionals based on a screened Coulomb potential (vol 118, pg 8207, 2003)
Jochen Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Oxidation energies of transition metal oxides within the GGA+U framework
Lei Wang et al.
PHYSICAL REVIEW B (2006)
Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant
CWM Castleton et al.
PHYSICAL REVIEW B (2006)
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Benchmark quantum Monte Carlo calculations
JC Grossman
JOURNAL OF CHEMICAL PHYSICS (2002)
Intrinsic n-type versus p-type doping asymmetry and the defect physics of ZnO -: art. no. 075205
SB Zhang et al.
PHYSICAL REVIEW B (2001)
Share Paper
