First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces

Theoretical Photovoltaic Conversion Efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2Alloys

(2013) Tomoyasu Yokoyama et al.   Applied Physics Express

Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study

(2013) Yoyo Hinuma et al.   PHYSICAL REVIEW B

Functional Complex Point-Defect Structure in a Huge-Size-Mismatch System

(2013) Ryo Ishikawa et al.   PHYSICAL REVIEW LETTERS

Anti-ferrodistortive-Like Oxygen-Octahedron Rotation Induced by the Oxygen Vacancy in Cubic SrTiO3

(2012) Minseok Choi et al.   ADVANCED MATERIALS

Bandgap engineering of ZnSnP2 for high-efficiency solar cells

(2012) David O. Scanlon et al.   APPLIED PHYSICS LETTERS

Ionization potentials of (112) and (112¯) facet surfaces of CuInSe2and CuGaSe2

(2012) Yoyo Hinuma et al.   PHYSICAL REVIEW B

First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2and CuInSe2-CuAlSe2pseudobinary systems

(2012) Yu Kumagai et al.   PHYSICAL REVIEW B

Role of copper interstitials in CuInSe2: First-principles calculations

(2011) Johan Pohl et al.   PHYSICAL REVIEW B

Point defects in ZnO: an approach from first principles

(2011) Fumiyasu Oba et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Excited states of the free excitons in CuInSe2 single crystals

(2010) M. V. Yakushev et al.   APPLIED PHYSICS LETTERS

Band gap of sphalerite and chalcopyrite phases of epitaxial ZnSnP2

(2010) P. St-Jean et al.   APPLIED PHYSICS LETTERS

Hybrid functional studies of the oxygen vacancy inTiO2

(2010) A. Janotti et al.   PHYSICAL REVIEW B

Strong Interplay between Structure and Electronic Properties inCuIn(S,Se)2: A First-Principles Study

(2010) Julien Vidal et al.   PHYSICAL REVIEW LETTERS

Intrinsicn-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study ofIn2O3,SnO2, and ZnO

(2009) Péter Ágoston et al.   PHYSICAL REVIEW LETTERS

Tuning Band Offsets of Core/Shell CdS/CdTe Nanocrystals

(2009) Yoshiyuki Nonoguchi et al.   Small

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

(2008) Fumiyasu Oba et al.   PHYSICAL REVIEW B

Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS