Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

Colloquium: Topological band theory

(2016) A. Bansil et al.   REVIEWS OF MODERN PHYSICS

Electronic structures and theoretical modelling of two-dimensional group-VIB transition metal dichalcogenides

(2015) Gui-Bin Liu et al.   CHEMICAL SOCIETY REVIEWS

Computational Screening of 2D Materials for Photocatalysis

(2015) Arunima K. Singh et al.   Journal of Physical Chemistry Letters

Copper-Intercalated Birnessite as a Water Oxidation Catalyst

(2015) Akila C. Thenuwara et al.   LANGMUIR

The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus

(2015) L. Shulenburger et al.   NANO LETTERS

Epitaxial growth of two-dimensional stanene

(2015) Feng-feng Zhu et al.   NATURE MATERIALS

Growth and electronic structure of epitaxial single-layerWS2on Au(111)

(2015) Maciej Dendzik et al.   PHYSICAL REVIEW B

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations

(2015) Diana Y. Qiu et al.   PHYSICAL REVIEW LETTERS

Electronic Structure of Epitaxial Single-LayerMoS2

(2015) Jill A. Miwa et al.   PHYSICAL REVIEW LETTERS

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

A half century of density functional theory

(2015) Andrew Zangwill   PHYSICS TODAY

k·ptheory for two-dimensional transition metal dichalcogenide semiconductors

(2015) Andor Kormányos et al.   2D Materials

Phase-engineered low-resistance contacts for ultrathin MoS2 transistors

(2014) Rajesh Kappera et al.   NATURE MATERIALS

Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene

(2014) M E Dávila et al.   NEW JOURNAL OF PHYSICS

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers

(2014) K. Kośmider et al.   PHYSICAL REVIEW B

Thickness dependence of spin polarization and electronic structure of ultra-thin films of MoS2 and related transition-metal dichalcogenides

(2014) Tay-Rong Chang et al.   Scientific Reports

Structures and Chemical Properties of Silicene: Unlike Graphene

(2013) Deepthi Jose et al.   ACCOUNTS OF CHEMICAL RESEARCH

Graphene-Based Topological Insulator with an Intrinsic Bulk Band Gap above Room Temperature

(2013) Liangzhi Kou et al.   NANO LETTERS

Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2

(2013) Yi Zhang et al.   Nature Nanotechnology

Testing density functionals for structural phase transitions of solids under pressure: Si, SiO2, and Zr

(2013) Bing Xiao et al.   PHYSICAL REVIEW B

Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2systems

(2013) Y. C. Cheng et al.   PHYSICAL REVIEW B

Gated silicene as a tunable source of nearly 100% spin-polarized electrons

(2013) Wei-Feng Tsai et al.   Nature Communications

Random-phase approximation and its applications in computational chemistry and materials science

(2012) Xinguo Ren et al.   JOURNAL OF MATERIALS SCIENCE

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Fate of the Resonating Valence Bond in Graphene

(2011) Mariapia Marchi et al.   PHYSICAL REVIEW LETTERS

Fourteen easy lessons in density functional theory

(2010) John P. Perdew et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Resonating-valence-bond ground state of lithium nanoclusters

(2009) D. Nissenbaum et al.   PHYSICAL REVIEW B

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS