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Monolayer WSe2 is a two dimensional (2D) semiconductor with a direct bandgap, and it has been recently explored as a promising material for electronics and optoelectronics. Low field effect mobility is the main constraint preventing WSe2…
Atomically thin 2-dimensional (2D) mechanical resonators are expected to be highly sensitive force sensor and high performance nano-electro-mechanical systems because of their excellent electrical and mechanical properties. For practical…
A quantitative understanding of the microscopic mechanisms responsible for damping in van der Waals nanomechanical resonators remains elusive. In this work, we investigate van der Waals magnets, where the thermal expansion coefficient…
The impact of irradiation on the thermal and electronic properties of materials is a persistent puzzle, particularly defect formation at the atomic and nanoscales. This work examines the nanoscale effects of low-energy irradiation on…
We use first-principles calculations to show that van der Waals (vdW) heterostructures consisting of few-layer Bi$_2$Se$_3$ and PtSe$_2$ exhibit electronic and spintronics properties that can be tuned by varying the constituent layers.…
SnSe is a promising thermoelectric material with record-breaking figure of merit, \textit{i.e., ZT}. As a semiconductor, optimal electrical dosage is the key challenge to maximize \textit{ZT} in SnSe. However, to date a comprehensive…
With full knowledge of a material's atomistic structure, it is possible to predict any macroscopic property of interest. In practice, this is hindered by limitations of the chosen characterisation techniques. For example, electron…
Twisted heterostructures of two-dimensional crystals offer almost unlimited scope for the design of novel metamaterials. Here we demonstrate a room-temperature ferroelectric semiconductor that is assembled using mono- or few- layer MoS2.…
Heusler type compounds have long been recognized as potential thermoelectric (TE) materials. Here, the experimentally observed TE properties of Fe$_{2}$VAl are understood through electronic structure calculations in the temperature range of…
The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in…
Velocity and temperature distributions are both crucial for modeling compressible wall-bounded turbulent flows. The compressible law of the wall for velocity has been extensively examined through velocity transformations. However, a…
We report on the fabrication of field-effect transistors based on single and bilayers of the semiconductor WS2 and the investigation of their electronic transport properties. We find that the doping level strongly depends on the device…
Two-dimensional (2D) materials are a new class of materials with interesting physical properties and ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of other layered…
Recently, the successful synthesis of the pentagonal form of PdTe$_{2}$ monolayer (\emph{p}-PdTe$_{2}$) was reported [Liu~\emph{et al.}, Nature Materials \textbf{23}, 1339 (2024)]. In this work, we present an extensive first-principles…
The ability to exfoliate layered materials down to the single layer limit has opened the opportunity to understand how a gradual reduction in dimensionality affects the properties of bulk materials. Here we use this top-down approach to…
We have performed device-based tunnelling spectroscopy of NbSe$_2$ in the vortex state with a magnetic field applied both parallel and perpendicular to the $a-b$ plane. Our devices consist of layered semiconductors placed on top of…
The waste heat management becomes very important with increasing energy demand and limited fossil resources. Here, we demonstrate thermoelectric performance of allotropic TeSe2. Based on the first-principle calculations, we confirm the…
The interplay between spin reorientation and topological electronic structure in two-dimensional (2D) van der Waals (vdW) ferromagnets is central to understanding how magnetic anisotropy shapes charge transport. Although spin-reorientation…
We study the thermoelectric properties of bulk $MoSe_2$ within relaxation time approximation including electron-phonon and ionized impurity interactions using first-principles calculations at room temperatures. The anisotropy of this…
Interest in the application of thermoelectric devices for renewable energy has risen over the past decade. In this paper, we calculate the transport properties of various configurations of the transition metal dichalcogenide (TMD) MSe$_2$…