Journal ArticleDOI
Electronic structure of a single MoS2 monolayer
TLDR
In this paper, the electronic structure of a single MoS2 monolayer is investigated with all electron first-principles calculations based on Kohn Sham Density Functional Theory and variational treatment of spin-orbital coupling.About:
This article is published in Solid State Communications.The article was published on 2012-05-01. It has received 515 citations till now. The article focuses on the topics: Direct and indirect band gaps & Band gap.read more
Citations
More filters
Journal ArticleDOI
Spin and pseudospins in layered transition metal dichalcogenides
TL;DR: In this article, the authors provide a brief review of both theoretical and experimental advances in this field and uncover the interplay between real spin and pseudospins in layered transition metal dichalcogenides.
Journal ArticleDOI
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
TL;DR: By critically assessing and comparing the performance of these devices with competing technologies, the merits and shortcomings of this emerging class of electronic materials are identified, thereby providing a roadmap for future development.
Journal ArticleDOI
Few-Layer MoS2: A Promising Layered Semiconductor
Rudren Ganatra,Qing Zhang +1 more
TL;DR: This review attempts to provide an overview of the research relevant to the structural and physical properties, fabrication methods, and electronic devices of few-layer MoS2.
Journal ArticleDOI
Hopping transport through defect-induced localized states in molybdenum disulphide
Hao Qiu,Tao Xu,Zilu Wang,Wei Ren,Haiyan Nan,Zhenhua Ni,Qian Chen,Shijun Yuan,Feng Miao,Fengqi Song,Gen Long,Yi Shi,Litao Sun,Jinlan Wang,Xinran Wang +14 more
TL;DR: This study provides direct evidence that sulphur vacancies exist in molybdenum disulphide, and introduces localized donor states inside the bandgap, suggesting that the low-carrier-density transport is dominated by hopping via these localized gap states.
Journal ArticleDOI
k · p theory for two-dimensional transition metal dichalcogenide semiconductors
Andor Kormányos,Guido Burkard,Martin Gmitra,Jaroslav Fabian,Viktor Zólyomi,Neil Drummond,Vladimir I. Fal'ko +6 more
TL;DR: In this paper, the dispersion of the valence and conduction bands at their extrema (the K, Q, Γ, and M points of the hexagonal Brillouin zone) in atomic crystals of semiconducting monolayer transition metal dichalcogenides (TMDCs) is described.
References
More filters
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
TL;DR: The revised DFT-D method is proposed as a general tool for the computation of the dispersion energy in molecules and solids of any kind with DFT and related (low-cost) electronic structure methods for large systems.
Journal ArticleDOI
Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew,Yue Wang +1 more
TL;DR: A simple analytic representation of the correlation energy for a uniform electron gas, as a function of density parameter and relative spin polarization \ensuremath{\zeta}, which confirms the practical accuracy of the VWN and PZ representations and eliminates some minor problems.