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Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…

Materials Science · Physics 2026-04-17 M. Szyszko , M. Birowska

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…

Mesoscale and Nanoscale Physics · Physics 2013-06-25 Branimir Radisavljevic , Andras Kis

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…

Using Density Functional Theory (DFT) method we compute linear optical absorption spectra and nonlinear optical susceptibilities of hydrogen passivated armchair and zigzag Phosphorous Nanoribbons (aPNR and zPNR) as well as \alpha-phase…

Mesoscale and Nanoscale Physics · Physics 2018-07-02 Sima Shekarforoush , Daryoush Shiri , Farhad Khoeini

Lattice defects and interfacial absorbates represent two extrinsic but ubiquitous factors that exert profound impacts on the luminescent properties of semiconductors. However, their impacts are normally tangled and remain to be separately…

Materials Science · Physics 2023-07-04 Ning Xu , Daocheng Hong , Xudong Pei , Jian Zhou , Fengqiu Wang , Peng Wang , Yuxi Tian , Yi Shi , Songlin Li

Noble metals with well-defined crystallographic orientation constitute an appealing class of materials for controlling light-matter interactions on the nanoscale. Nonlinear optical processes, being particularly sensitive to anisotropy, are…

We report on study of electrical and structural properties of InSb/GaAs(001) heteroepitaxial layers in [110] and [1-10] crystallographic directions. Strong anisotropy of electron transport parameters measured at a low magnetic field has…

The electronic structure of epitaxial single-layer MoS$_2$ on Au(111) is investigated by angle-resolved photoemission spectroscopy, scanning tunnelling spectroscopy, and first principles calculations. While the band dispersion of the…

This article theoretically proposes a multi-layer Fabry-Perot cavity structure based on nonlinear MoS2, whose cavity is composed of asymmetric photonic crystals. In this structure, we observed a low threshold optical bistability phenomenon…

Optics · Physics 2024-06-04 Songqing Tang , Mengjiao Ren , Zhiheng Li , Zhiwei Zheng , Leyong Jiang

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…

Using temperature dependent photoluminescence (PL), polarization resolved PL and Raman spectroscopy, we investigate the effect of in situ vacuum annealing as well as the relaxation of strain on the luminescence and the valley polarization…

Materials Science · Physics 2022-12-09 Poulab Chakrabarti , Faiha Mujeeb , Subhabrata Dhar

Weyl semimetal (WSM) states can be achieved by breaking spatial-inversion symmetry or time reversal symmetry. However, the anisotropy of the energy reduction contributing to the emergence of WSM states has seldom been investigated by…

Here we report mid infrared (mid-IR) photothermal response of multi layer MoS2 thin film grown on crystalline (p-type silicon and c-axis oriented single crystal sapphire) and amorphous substrates (Si/SiO2 and Si/SiN) by pulsed laser…

The effects of oxygen adsorption on the reflectance anisotropy spectrum (RAS) of reconstructed Si(100):O surfaces at sub-monolayer coverage (first stages of oxidation) have been studied by an ab initio DFT-LDA scheme within a plane-wave,…

Materials Science · Physics 2009-11-10 Andrei Incze , Rodolfo Del Sole , Giovanni Onida

We realize and investigate ionic liquid gated field-effect transistors (FETs) on large-area MoS2 monolayers grown by chemical vapor deposition (CVD). Under electron accumulation, the performance of these devices is comparable to that of…

Mesoscale and Nanoscale Physics · Physics 2016-02-05 Evgeniy Ponomarev , Ignacio Gutiérrez-Lezama , Nicolas Ubrig , Alberto F. Morpurgo

Screening in reduced dimensions has strong consequences on the electronic properties in van der Waals semiconductors, impacting the quasiparticle band gap and exciton binding energy. Screening in these materials is typically treated…

Antiferromagnetic FeSn is considered to be a close realization of the ideal two-dimensional (2D) kagome lattice, hosting Dirac cones, van Hove singularities, and flat bands, as it comprises Fe$_3$Sn kagome layers well separated by Sn buffer…

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 optical properties of two-dimensional materials are exceptional in several respects. They are highly anisotropic and frequently dominated by excitonic effects. Dipole-allowed second order non-linear optical properties require broken…

Mesoscale and Nanoscale Physics · Physics 2023-07-05 M. F. C. Martins Quintela , T. Garm Pedersen

Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transiti on metal dichalcogenides, specifically MoS$_2$-WSe$_2$…

Materials Science · Physics 2016-03-23 Bin Amin , Thaneshwor P. Kaloni , Georg Schreckenbach , Michael S. Freund