Electronic structure of antifluorite Cu2X (X = S, Se, Te) within the modified Becke-Johnson potential plus an on-site Coulomb U

First principles investigation of the structure and electronic properties of Cu2Te

(2013) Yinggan Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U

(2013) Yubo Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional theory study of the electronic structure of fluorite Cu2Se

(2013) Mikael Råsander et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials:Cu2TeandCu2Se

(2013) Manh Cuong Nguyen et al.   PHYSICAL REVIEW LETTERS

Crystal and electronic structures of CuxS solar cell absorbers

(2012) Qiang Xu et al.   APPLIED PHYSICS LETTERS

Structural properties and quasiparticle band structures of Cu-based quaternary semiconductors for photovoltaic applications

(2012) Yubo Zhang et al.   JOURNAL OF APPLIED PHYSICS

Structure-transformation-induced abnormal thermoelectric properties in semiconductor copper selenide

(2012) Huili Liu et al.   MATERIALS LETTERS

Copper ion liquid-like thermoelectrics

(2012) Huili Liu et al.   NATURE MATERIALS

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B

Screened Coulomb interactions of localized electrons in transition metals and transition-metal oxides

(2012) Bi-Ching Shih et al.   PHYSICAL REVIEW B

Screened Coulomb interaction of localized electrons in solids from first principles

(2012) Bi-Ching Shih et al.   PHYSICAL REVIEW B

Comparative study of structural and electronic properties of Cu-based multinary semiconductors

(2011) Yubo Zhang et al.   PHYSICAL REVIEW B

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set

(2011) Fabien Tran et al.   PHYSICAL REVIEW B

False-positive and false-negative assignments of topological insulators in density functional theory and hybrids

(2011) J. Vidal et al.   PHYSICAL REVIEW B

Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

(2009) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study

(2009) Joachim Paier et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS