Related papers: Band gap engineering of MoS$_2$ upon compression
We study the effect of electric stress, gas pressure and gas type on the hysteresis in the transfer characteristics of monolayer molybdenum disulfide (MoS2) field effect transistors. The presence of defects and point vacancies in the MoS2…
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…
We explore the electronic structure, orbital character and topological aspect of a monolayer MoS$_2$ nanoribbon using tight-binding (TB) and low-energy (${\bm k}\cdot{\bm p} $) models. We obtain a mid-gap edge mode in the zigzag ribbon of…
Quantum systems in confined geometries are host to novel physical phenomena. Examples include quantum Hall systems in semiconductors and Dirac electrons in graphene. Interest in such systems has also been intensified by the recent discovery…
Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…
This study presents a comprehensive first-principles investigation of the structural, electronic and optical properties of monolayer \ch{Mo_{1-x}W_xS2} alloys, systematically exploring the full compositional range ($x=0$ to $1$) using…
We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…
The last decade has seen a flurry of studies related to graphene nanoribbons owing to their potential applications in the quantum realm. However, little experimental work has been reported towards nanoribbons of other 2D materials due to…
Strain induced through fabrication, both by patterning and capping, can be used to change the properties of two-dimensional (2D) materials or other thin films. Here, we explore how capping layers impart strain to monolayer MoS$_{2}$ using…
The extraordinary mechanical properties of 2D TMDCs make them ideal candidates for investigating strain-induced control of various physical properties. Here we explore the role of non-uniform strain in modulating optical, electronic and…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…
We study electron transport in monolayer molybdenum disulfide MoS$_2$ subjected to a magnetic barrier. Our analysis employs a full-band continuum model to capture the relevant physical phenomena. We focus on how electron energy, magnetic…
In this paper we present a paradigmatic tight-binding model for single-layer as well as for multi-layered semiconducting MoS$_2$ and similar transition metal dichalcogenides. We show that the electronic properties of multilayer systems can…
To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…
Phosphorene, a two-dimensional (2D) analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high…
Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has…
Engineering the electronic bandgap is of utmost importance in diverse domains ranging from information processing and communication technology to sensing and renewable energy applications. Transition metal dichalcogenides (TMDCs) provide an…
Nanoscale tailoring of the optoelectronic response of 2D Transition Metal Dichalcogenides semiconductor layers (TMDs) has been achieved thanks to a novel strain engineering approach based on the grayscale thermal-Scanning Probe Lithography…
Structural, interfacial, optical, and transport properties of large-area MoS2 ultra-thin films on BN-buffered silicon substrates fabricated using magnetron sputtering are investigated. A relatively simple growth strategy is demonstrated…