124 citations · 601 across the 15 of their papers we have counts for
16 papers
A first-principles approach to closing the "10-100 eV gap" for charge-carrier thermalization in semiconductors
Dallin O. Nielsen, Chris G. Van de Walle, Sokrates T. Pantelides +3
The present work is concerned with studying accurately the energy-loss processes that control the thermalization of hot electrons and holes that are generated by high-energy radiat…
Theoretical Study of Electronic Transport in Two-Dimensional Transition Metal Dichalcogenides: Effects of the Dielectric Environment
Sanjay Gopalan, Maarten L. Van de Put, Gautam Gaddemane +1
We discuss the effect of the dielectric environment (insulators and metal gates) on electronic transport in two-dimensional (2D) transition metal dichalcogenides (TMD) monolayers.…
Monte Carlo analysis of phosphorene nanotransistors
Gautam Gaddemane, Maarten L. Van de Put, William G. Vandenberghe +2
Experimental studies on two-dimensional (2D) materials are still in the early stages, and most of the theoretical studies performed to screen these materials are limited to the roo…
Real-time ab initio simulation of inelastic electron scattering using the exact, density functional, and alternative approaches
Yeonghun Lee, Xiaolong Yao, Massimo V. Fischetti +1
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron w…
Limitations of ab initio methods to predict the electronic-transport properties of two-dimensional materials: The computational example of 2H-phase transition metal dichalcogenides
Gautam Gaddemane, Sanjay Gopalan, Maarten Van de Put +1
Over the last few years, methods have become an increasingly popular tool to evaluate intrinsic carrier transport properties in 2D materials. The lack of experimental i…
Scalable Atomistic Simulations of Quantum Electron Transport using Empirical Pseudopotentials
Maarten L. Van de Put, Massimo V. Fischetti, William G. Vandenberghe
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simul…
Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness
Kristof Moors, Antonino Contino, Maarten L. Van de Put +4
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering,…
Superconductivity induced by flexural modes in non -symmetric Dirac-like two-dimensional materials: A theoretical study for silicene and germanene
Massimo V. Fischetti, Arup Polley
In two-dimensional crystals that lack symmetry under reflections on the horizontal plane of the lattice (non--symmetric), electrons can couple to flexural modes (ZA phon…
Theoretical studies of electronic transport in mono- and bi-layer phosphorene: A critical overview
Gautam Gaddemane, William G. Vandenberghe, Maarten L. Van de Put +4
Recent theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orde…
Inter-ribbon tunneling in graphene: an atomistic Bardeen approach
Maarten L. Van de Put, William G. Vandenberghe, Bart Sorée +2
A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamilto…
Mermin-Wagner theorem, flexural modes, and degraded carrier mobility in 2D crystals with broken horizontal mirror () symmetry
Massimo V. Fischetti, William G. Vandenberghe
We show that the electron mobility in ideal, free-standing two-dimensional `buckled' crystals with broken horizontal mirror () symmetry and Dirac-like dispersion (such a…
Mobility enhancement and temperature dependence in top-gated single-layer MoS2
Zhun-Yong Ong, Massimo V. Fischetti
The deposition of a high- oxide overlayer is known to significantly enhance the room-temperature electron mobility in single-layer MoS (SLM) but not in single-layer graphe…
Theoretical analysis of high-field transport in graphene on a substrate
Andrey Y. Serov, Zhun-Yong Ong, Massimo V. Fischetti +1
We investigate transport in graphene supported on various dielectrics (SiO2, BN, Al2O3, HfO2) through a hydrodynamic model which includes self-heating and thermal coupling to the s…
Theory of Interfacial Plasmon-Phonon Scattering in Supported Graphene
Zhun-Yong Ong, Massimo V. Fischetti
One of the factors limiting electron mobility in supported graphene is remote phonon scattering. We formulate the theory of the coupling between graphene plasmon and substrate surf…
Charged Impurity Scattering in Graphene Nanostructures
Zhun-Yong Ong, Massimo V. Fischetti
We study charged impurity scattering and static screening in a top-gated substrate-supported graphene nanostructure. Our model describes how boundary conditions can be incorporated…
Generalized phonon-assisted Zener tunneling in indirect semiconductors with non-uniform electric fields : a rigorous approach
William G. Vandenberghe, Bart Sorée, Wim Magnus +1
A general framework to calculate the Zener current in an indirect semiconductor with an externally applied potential is provided. Assuming a parabolic valence and conduction band d…