General approach for band gap calculation of semiconductors and insulators

Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides

(2013) Wenqing Li et al.   Journal of Chemical Theory and Computation

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

(2011) Yi Ding et al.   PHYSICA B-CONDENSED MATTER

Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2

(2011) A. Kuc 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

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS