112 citations · 446 across the 15 of their papers we have counts for
16 papers
Reduction of Magnetic Interaction Due to Clustering in Doped Transition-Metal Dichalcogenides: A Case Study of Mn, V, Fe-Doped
Sabyasachi Tiwari, Maarten Van de Put, Bart Soree +2
Using Hubbard U corrected density functional theory calculations, lattice Monte-Carlo, and spin-Monte-Carlo simulations, we investigate the impact of dopant clustering on the magne…
Constrained Bayesian Optimization Using a Lagrange Multiplier Applied to Power Transistor Design
Ping-Ju Chuang, Ali Saadat, Sara Ghazvini +2
We propose a novel constrained Bayesian Optimization (BO) algorithm optimizing the design process of Laterally-Diffused Metal-Oxide-Semiconductor (LDMOS) transistors while realizin…
Image-Force Barrier Lowering of Schottky Barriers in Two-Dimensional Materials as a Function of Metal Contact Angle
Sarah R. Evans, Emeric Deylgat, Edward Chen +1
Two-dimensional (2D) semiconductors are a promising solution for the miniaturization of electronic devices and for the exploration of novel physics. However, practical applications…
Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators
Sabyasachi Tiwari, Maarten L. Van de Put, Kristiaan Temst +2
To design fast memory devices, we need material combinations which can facilitate fast read and write operation. We present a heterostructure comprising a two-dimensional (2D) magn…
Transition-Metal Nitride Halide Dielectrics for Transition-Metal Dichalcogenide Transistors
Mehrdad Rostami Osanloo, Ali Saadat, Maarten L. Van de Put +2
Using first-principles calculations, we investigate six transition-metal nitride halides (TMNHs): HfNBr, HfNCl, TiNBr, TiNCl, ZrNBr, and ZrNCl as potential van der Waals (vdW) diel…
Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy
Sabyasachi Tiwari, Joren Vanherck, Maarten L. Van de Put +2
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose…
New polymorphic phase and rich phase diagram in the PdSe2-xTex system
Wenhao Liu, Mehrdad Rostami Osanloo, Xiqu Wang +6
We report a combined experimental and theoretical study of the PdSe2-xTex system. With increasing Te fraction, structural evolutions, first from an orthorhombic phase (space group…
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…
Critical behavior of ferromagnets CrI3, CrBr3, CrGeTe3, and anti-ferromagnet FeCl2: a detailed first-principles study
Sabyasachi Tiwari, Maarten L Van de Put, Bart Soree +1
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel tempe…
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,…
An envelope function formalism for lattice-matched heterostructures
Maarten L. Van de Put, William G. Vandenberghe, Wim Magnus +1
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the matrix elements are generally only kno…
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…
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…