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Weyl semimetals are a class of topological semimetals defined by a Chern number as their topological invariant. These materials exhibit unique properties, such as transverse topological currents and anomalous magnetoelectric responses,…

Materials Science · Physics 2025-02-28 Gengyue Dong

Using the Density Functional Theory (DFT) calculations, we determined the electronic and magnetic properties of a T-phase VS$_2$ bilayer as a function of tensile and compressive strain. First, we determine the ground state structural…

Materials Science · Physics 2023-12-11 Mirali Jafari , Anna Dyrdał

The Janus VSBrI monolayer, identified by first-principles calculations, emerges as a promising semiconducting material with desirable ferromagnetic and ferroelectric properties. It's in-plane magnetic anisotropic energy is up to 460…

Materials Science · Physics 2024-09-27 Qiuyue Ma , Busheng Wang , Guochun Yang , Yong Liu

Recent observation of intrinsic ferromagnetism in two-dimensional (2D) CrI$_3$ is associated with the large magnetic anisotropy due to strong spin-orbit coupling (SOC) of I. Magnetic anisotropy energy (MAE) defines the stability of…

Mesoscale and Nanoscale Physics · Physics 2018-10-10 Lucas Webster , Jia-An Yan

Using density functional tight-binding theory, we investigated the elastic properties and deformation and failure behaviors of pristine and defective carbon-phosphide (CP) monolayers subjected to uniform uniaxial tensile strain along…

Materials Science · Physics 2018-09-26 V. Sorkin , Y. W. Zhang

Tungsten diselenide, WSe2 shows excellent properties and become very promising material among two dimensional semiconductors. Wide band gap and large spin-orbit coupling along with naturally lacking inversion symmetry in the monolayer WSe2…

Materials Science · Physics 2023-10-16 S. Gupta , R. Ohshima , Y. Ando , T. Endo , Y. Miyata , M. Shiraishi

The Janus structure, by combining properties of different transition metal dichalcogenide (TMD) monolayers in a single polar material, has attracted increasing research interest because of their particular structure and potential…

Materials Science · Physics 2020-01-08 San-Dong Guo , Xiao-Shu Guo

We study finite size effects in the variance of the displacement of a tagged particle in the stationary state of the Asymmetric Simple Exclusion Process (ASEP) on a ring of size $L$. The process involves hard core particles undergoing…

Statistical Mechanics · Physics 2009-11-13 Shamik Gupta , Satya N. Majumdar , Claude Godrèche , Mustansir Barma

We have performed a systematic first-principles study of the effect of tensile strains on the electronic properties of early transition-metal dichalcogenide (TMDC) monolayers MX2 (M = Sc, Ti, Zr, Hf, Ta, Cr; X = S, Se, and Te). Our…

Mesoscale and Nanoscale Physics · Physics 2014-03-14 Hongyan Guo , Ning Lu , Lu Wang , Xiaojun Wu , Xiao Cheng Zeng

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…

Materials Science · Physics 2015-05-11 K. Kutorasinski , B. Wiendlocha , S. Kaprzyk , J. Tobola

Understanding the interactions between strain, interfacial mechanics, and electrical performance is critical for designing beyond silicon electronics based on hetero-integrated 2D materials. Through combined experiment and simulation, we…

Creep of directionally solidified Sn-3Ag-0.5Cu wt.% (SAC305) samples with near-<110> orientation along the loading direction and different microstructural lengthscale is investigated under constant load tensile testing and at a range of…

Applied Physics · Physics 2021-02-03 Tianhong Gu , Christopher M. Gourlay , T. Ben Britton

The emergence of ferromagnetism in two-dimensional van der Waals materials has aroused broad interest. However, the ferromagnetic instability has been a problem remained. In this work, by using the first-principles calculations, we…

Strongly Correlated Electrons · Physics 2021-03-18 Wen-ning Ren , Kui-juan Jin , Jie-su Wang , Chen Ge , Er-Jia Guo , Cheng Ma , Can Wang , Xiulai Xu

Strain is a powerful experimental tool to explore new electronic states and understand unconventional superconductivity. Here, we investigate the effect of uniaxial strain on the nematic and superconducting phase of single crystal FeSe…

In this study, we investigate the underlying mechanisms of the negative piezoelectricity in low--dimensional materials by carrying out first--principles calculations. Two--dimensional ferroelectric CuInP$_2$S$_6$ is analyzed in detail as a…

Materials Science · Physics 2021-06-02 Yubo Qi , Andrew M. Rappe

We present photoluminescence (PL) spectroscopy measurements of single-layer MoSe2 as a function of uniform uniaxial strain. A simple clamping and bending method is described that allows for application of uniaxial strain to layered, 2D…

In this computational work based on density functional theory we study the electronic and electron transport properties of asymmetric multi-layer MoSSe junctions, known as Janus junctions. Focusing on 4-layer systems, we investigate the…

Materials Science · Physics 2021-06-30 Shuanglong Liu , James N. Fry , Hai-Ping Cheng

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…

Materials Science · Physics 2025-01-07 Poonam Sharma , Vaishali Roondhe , Alok Shukla

Strain can efficiently modulate the bandgap and carrier mobilities in two-dimensional (2D) materials. Conventional mechanical strain-application methodologies that rely on flexible, patterned or nano-indented substrates are severely limited…

Strain engineering allows the physical properties of materials and devices to be widely tailored, as paradigmatically demonstrated by strained transistors and semiconductor lasers employed in consumer electronics. For this reason, its…

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