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Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…
Two-probe electronic transport measurements on a Molybdenum Disulphide (MoS_2) surface were performed at low temperature (30K) under ultra-high vacuum conditions. Two scanning tunneling microscope tips were precisely positioned in tunneling…
By using first-principles calculations, we investigated the monolayer $ReS_2$ with vacancies under strain engineering, specifically focusing on its energy of formation, band gap, electron density of states, effective mass and optical…
We present a computational study on the impact of tensile/compressive uniaxial ($\varepsilon_{xx}$) and biaxial ($\varepsilon_{xx}=\varepsilon_{yy}$) strain on monolayer MoS$_{2}$ NMOS and PMOS FETs. The material properties like band…
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 relativistic first principles calculations based on density…
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 study the channel width scaling of back-gated MoS2 metal-oxide-semiconductor field-effect transistors (MOSFETs) from 2 {\mu}m down to 60 nm. We reveal that the channel conductance scales linearly with channel width, indicating no evident…
We explore the direct to indirect band gap transitions in MX$_2$ (M= Mo/W, X= S/Se) transition metal dichalcogenides heterobilayers for different system compositions, strains, and twist angles based on first principles density functional…
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 ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…
In topological materials, dissipationless edge currents are protected against local defect scattering by the bulk inverted band structure and band gap. We propose that large uniaxial strain can effectively switch a 2D Chern insulator to a…
The temperature-induced structural and electronic transformation in VO$_2$ between the monoclinic M1 and tetragonal rutile phases was studied by means of \textit{ab initio} molecular dynamics, based on density functional theory with Hubbard…
The sensitive correlation between optical parameters and strain in Mo$S_2$ results in a totally different approach to tune the optical properties. Usually, an external source of strain is employed to monitor the optical and vibrational…
Due to the distinguished properties offered by different structural phases of monolayer MoS2, phase engineering design are urgently required for achieving switchable structural phase. Strain engineering is widely accepted as a clean and…
Multilayer MoS2 possesses highly anisotropic thermal conductivities along in-plane and cross-plane directions that could hamper heat dissipation in electronics. With about 9% cross-plane compressive strain created by hydrostatic pressure in…
Strain engineering is a powerful tool for tuning physical properties of 2D materials, including monolayer transition metal dichalcogenides (TMD) -- direct bandgap semiconductors with strong excitonic response. Here, we demonstrate an…
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Recently synthesized two-dimensional transition metal carbides…
Strain engineering is an efficient tool to tune and tailor the electrical and optical properties of 2D materials. The built-in strain can be tuned during the synthesis process of a two dimensional semiconductor, as molybdenum disulfide, by…
We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…
Mechanical strain is a powerful technique for tuning electronic structure and interactions in quantum materials. In a system with tetragonal symmetry, a tunable uniaxial in-plane strain can be used to probe nematic correlations in the same…