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The stacked two layered materials with a lattice constant mismatch and/or with twist angle relative to each other can create a moir\'e pattern, modulating the electronic properties of the pristine materials. Here, we combine scanning…
The intrinsic spin-dependent transport properties of two types of lateral VS2|MoS2 heterojunctions are systematically investigated using first-principles calculations, and their various nanodevices with novel properties are designed. The…
We investigate the minimal requirements that induce a nonreciprocal response to temperature differences in a mesoscopic electronic conductor. We identify two distinct mechanisms involved in electron-electron interactions, namely inelastic…
The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…
Two dimensional transition metal dichalcogenides (TMDC) have very interesting properties for optoelectronic devices. In this work we theoretically investigate and predict that superlattices comprised of MoS$_{2}$ and WSe$_{2}$ multilayers…
We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian…
We present a comprehensive study of the electronic structure of the layered semiconductor InSe using density functional theory. We calculate the band structure of the monolayer and bulk material with the band gap corrected using hybrid…
We first derive the energy dispersion of bilayer MoS$_{2}$ in the presence of a perpendicular electric field $E_z$. We show that the band gap and layer splitting can be controlled by the field $E_z$. Away from the $k$ point, the intrinsic…
Transition metal dichalcogenides (TMDs) are layered semiconducting van der Waal crystals and promising materials for a wide range of electronic and optoelectronic devices. Realizing practical electrical and optoelectronic device…
Light-emitting diodes are of importance for lighting, displays, optical interconnects, logic and sensors. Hence the development of new systems that allow improvements in their efficiency, spectral properties, compactness and integrability…
The performance of electronic and spintronic devices based on two-dimensional semiconductors (2D SC) is largely dependent on the quality and resistance of the metal/SC electrical contacts, as well as preservation of the intrinsic properties…
Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via stacking, twisting, or straining. Using ab initio Many-Body…
A domain wall separating two oppositely magnetized regions in a ferromagnetic semiconductor exhibits, under appropriate conditions, strongly nonlinear I-V characteristics similar to those of a p-n diode. We study these characteristics as…
Ab-initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect-free…
Using Density functional theory and non-equilibrium Green's function formalism, spin dependent electron transport in Fe/Mo$_x$Cr$_{1-x}$S$_2$/Fe magnetic tunnel junction is studied. Spin transport for different thicknesses (1, 3, 5, and 7…
A method for assessing the quality of electronic material properties of thin-film metal oxide semiconductor field-effect transistors (MOSFETs) is presented. By investigating samples with MOCVD-grown MoS${_2}$ channels exposed to atmospheric…
The metal-insulator transition (MIT) is one of the remarkable electrical transport properties of atomically thin molybdenum disulphide (MoS2). Although the theory of electron-electron interactions has been used in modeling the MIT phenomena…
The application of two-dimensional (2D) semiconductors, such as monolayer MoS2, is limited by the high contact resistance commonly attributed to interfacial barriers at metal contacts. Furthermore, the dependence of electrical conductivity…
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the interlayer overlapping degree, a geometric quantity describing…
We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…