Showing 2013 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2013★ 135 cited

Role of Strain on Electronic and Mechanical Response of Semiconducting Transition-Metal Dichalcogenide Monolayers: an ab-initio study

David M. Guzman, Alejandro Strachan

We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully re…

cond-mat.mtrl-sci2013★ 121 cited

Tuning a Schottky barrier in a photoexcited topological insulator with transient Dirac cone electron-hole asymmetry

M. Hajlaoui, E. Papalazarou, J. Mauchain +19

The advent of Dirac materials has made it possible to realize two dimensional gases of relativistic fermions with unprecedented transport properties in condensed matter. Their phot…

cond-mat.mtrl-sci2013★ 8 cited

An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures II - Effect of Confinement and Homogeneous Strain on Cu Conductance

Ganesh Hegde, Michael Povolotskyi, Tillmann Kubis +2

The Semi-Empirical TB model developed in part I is applied to metal transport problems of current relevance in part II. A systematic study of the effect of quantum confinement, tra…

cond-mat.mtrl-sci2013★ 14 cited

An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures I - Model and Validation

Ganesh Hegde, Michael Povolotskyi, Tillmann Kubis +2

Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor device…

cond-mat.mtrl-sci2013★ 28 cited

Giant Quasiparticle Bandgap Modulation in Graphene Nanoribbons Supported on Weakly Interacting Surfaces

Xueping Jiang, Neerav Kharche, Paul Kohl +5

In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy o…

cond-mat.mtrl-sci2013★ 18 cited

Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory

Ask Hjorth Larsen, Umberto De Giovannini, Daniel Lee Whitenack +2

We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the…

cond-mat.mtrl-sci2013★ 36 cited

Synthetic Graphene Grown by Chemical Vapor Deposition on Copper Foils

Ting Fung Chung, Tian Shen, Helin Cao +5

The discovery of graphene, a single layer of covalently bonded carbon atoms, has attracted intense interests. Initial studies using mechanically exfoliated graphene unveiled its re…

cond-mat.mtrl-sci2013★ 255 cited

Molecular Doping of Multilayer MoS2 Field-effect Transistors: Reduction in Sheet and Contact Resistances

Yuchen Du, Han Liu, Adam T. Neal +2

For the first time, polyethyleneimine (PEI) doping on multilayer MoS2 field-effect transistors are investigated. A 2.6 times reduction in sheet resistance, and 1.2 times reduction…

cond-mat.mtrl-sci2013★ 1 cited

Strain enhancement of high-k dielectric response in (La/Sc)2 O3 and LaScO3 : an ab-initio study

Stas M. Avdoshenko, Alejandro Strachan

We use density functional theory within the generalized gradient approximation to characterize the dielectric response of rare earth oxides: (La,Sc)2 O3 bixbyite, and LaScO3 perovs…

cond-mat.mtrl-sci2013★ 13 cited

Geometric treatment of conduction electron scattering by crystal lattice strains and dislocations

Koushik Viswanathan, Srinivasan Chandrasekar

A theory for conduction electron scattering by inhomogeneous crystal lattice strains is developed, based on the differential geometric treatment of deformations in solids. The resu…

cond-mat.mtrl-sci2013★ 20 cited

Spintronic Switches for Ultra Low Energy On-Chip and Inter-Chip Current-Mode Interconnects

Mrigank Sharad, Kaushik Roy

Energy-efficiency and design-complexity of high-speed on-chip and inter-chip data-interconnects has emerged as the major bottleneck for high-performance computing-systems. As a sol…

cond-mat.mtrl-sci2013★ 47 cited

Ultra Low Power Associative Computing with Spin Neurons and Resistive Crossbar Memory

Mrigank Sharad, Deliang Fan, Kaushik Roy

Emerging resistive-crossbar memory (RCM) technology can be promising for computationally-expensive analog pattern-matching tasks. However, the use of CMOS analog-circuits with RCM…

cond-mat.mtrl-sci2013★ 42 cited

Strain-induced topological insulator phase transition in HgSe

Lars Winterfeld, Luis A. Agapito, Jin Li +3

Using ab initio electronic structure calculations we investigate the change of the band structure and the nu_0 topological invariant in HgSe (non-centrosymmetric system) under two…

cond-mat.mtrl-sci2013★ 143 cited

Metrics for measuring distances in configuration spaces

Ali Sadeghi, S. Alireza Ghasemi, Bastian Schaefer +3

In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The…