GWcalculations on post-transition-metal oxides

Intrinsic nature of visible-light absorption in amorphous semiconducting oxides

(2014) Youngho Kang et al.   APL Materials

Band-structure calculations for the 3dtransition metal oxides inGW

(2013) Stephan Lany   PHYSICAL REVIEW B

Angle-resolved photoemission and quasiparticle calculation of ZnO: The need fordband shift in oxide semiconductors

(2012) Linda Y. Lim et al.   PHYSICAL REVIEW B

Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles

(2012) Sahar Sharifzadeh et al.   PHYSICAL REVIEW B

Band discontinuities at Si-TCO interfaces from quasiparticle calculations: Comparison of two alignment approaches

(2012) B. Höffling et al.   PHYSICAL REVIEW B

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

(2012) J. B. Varley et al.   PHYSICAL REVIEW B

Microscopic Origin of Universal Quasilinear Band Structures of Transparent Conducting Oxides

(2012) Youngho Kang et al.   PHYSICAL REVIEW LETTERS

Electronic structure of oxygen-vacancy defects in amorphous In-Ga-Zn-O semiconductors

(2011) Hyeon-Kyun Noh et al.   PHYSICAL REVIEW B

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

(2011) Audrius Alkauskas et al.   PHYSICAL REVIEW B

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

(2011) A. Schleife et al.   PHYSICAL REVIEW B

Quasiparticle energies and uniaxial pressure effects on the properties of SnO2

(2010) R. Saniz et al.   APPLIED PHYSICS LETTERS

Hybrid functional study on structural and electronic properties of oxides

(2010) Sohee Park et al.   CURRENT APPLIED PHYSICS

The quasiparticle band structure of zincblende and rocksalt ZnO

(2010) H Dixit et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Single-particle and quasiparticle interpretation of Kohn-Sham and generalized Kohn-Sham eigenvalues for hybrid functionals

(2010) T. Körzdörfer et al.   PHYSICAL REVIEW B

Many-bodyGWcalculation of the oxygen vacancy in ZnO

(2010) Stephan Lany et al.   PHYSICAL REVIEW B

Quasiparticle Band Gap of ZnO: High Accuracy from the ConventionalG0W0Approach

(2010) Bi-Ching Shih et al.   PHYSICAL REVIEW LETTERS

Origins of High Mobility and Low Operation Voltage of Amorphous Oxide TFTs: Electronic Structure, Electron Transport, Defects and Doping

(2009) T. Kamiya et al.   Journal of Display Technology

Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2

(2009) Kate G. Godinho et al.   Journal of Physical Chemistry C

Band-structure and optical-transition parameters of wurtzite MgO, ZnO, and CdO from quasiparticle calculations

(2009) A. Schleife et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations

(2009) P. D. C. King et al.   PHYSICAL REVIEW B

Indium-oxide polymorphs from first principles: Quasiparticle electronic states

(2008) F. Fuchs et al.   PHYSICAL REVIEW B

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

(2008) Fumiyasu Oba et al.   PHYSICAL REVIEW B

Nature of the Band Gap ofIn2O3Revealed by First-Principles Calculations and X-Ray Spectroscopy

(2008) Aron Walsh et al.   PHYSICAL REVIEW LETTERS

Sources of Electrical Conductivity inSnO2

(2008) Abhishek Kumar Singh et al.   PHYSICAL REVIEW LETTERS