The electronic properties of impurities (N, C, F, Cl, and S) in Ag3PO4: A hybrid functional method study

Phase Stability and Defect Physics of a Ternary ZnSnN2Semiconductor: First Principles Insights

(2014) Shiyou Chen et al.   ADVANCED MATERIALS

Native point defects inLaAlO3: A hybrid functional study

(2014) Minseok Choi et al.   PHYSICAL REVIEW B

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

(2014) J. L. Lyons et al.   PHYSICAL REVIEW B

Native defects and hydrogen impurities in Ag3PO4

(2013) Pakpoom Reunchan et al.   PHYSICAL REVIEW B

Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO3

(2013) Takahiro Shimada et al.   PHYSICAL REVIEW B

Band gap engineering in BiNbO4 for visible-light photocatalysis

(2012) B. C. Wang et al.   APPLIED PHYSICS LETTERS

Intrinsic defect in BiNbO4: A density functional theory study

(2012) Kangrong Lai et al.   JOURNAL OF APPLIED PHYSICS

Electronic and Photocatalytic Properties of Ag3PC4VI (C = O, S, Se): A Systemic Hybrid DFT Study

(2012) Zuju Ma et al.   Journal of Physical Chemistry C

Thermodynamic Assessment of P2O5

(2012) In-Ho Jung et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Range-separated hybrid exchange-correlation functional analyses of anatase TiO2doped with W, N, S, W/N, or W/S

(2012) Veysel Çelik et al.   PHYSICAL REVIEW B

Electronic structure and optical properties of Ag3PO4 photocatalyst calculated by hybrid density functional method

(2011) J. J. Liu et al.   APPLIED PHYSICS LETTERS

Origin of Photocatalytic Activation of Silver Orthophosphate from First-Principles

(2011) Xinguo Ma et al.   Journal of Physical Chemistry C

Doping properties of monoclinic BiVO4studied by first-principles density-functional theory

(2011) Wan-Jian Yin et al.   PHYSICAL REVIEW B

Theoretical study of high photocatalytic performance of Ag3PO4

(2011) Naoto Umezawa et al.   PHYSICAL REVIEW B

Oxygen vacancies and donor impurities in β-Ga2O3

(2010) J. B. Varley et al.   APPLIED PHYSICS LETTERS

An orthophosphate semiconductor with photooxidation properties under visible-light irradiation

(2010) Zhiguo Yi et al.   NATURE MATERIALS

Group-V impurities inSnO2from first-principles calculations

(2010) J. B. Varley et al.   PHYSICAL REVIEW B

Codoping of aluminum and gallium with nitrogen in ZnO: A comparative first-principles investigation

(2009) X. M. Duan et al.   PHYSICAL REVIEW B

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Doping asymmetry in wide-bandgap semiconductors: Origins and solutions

(2008) Yanfa Yan et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS