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Atomically thin two-dimensional semiconducting transition metal dichalcogenides (TMDs) can withstand large levels of strain before their irreversible damage occurs. This unique property offers a promising route for control of the optical…

Two-dimensional transition metal dichalcogenides show great potential as promising thermoelectric materials due to their lower dimensionality, the unique density of states and quantum confinement of carriers. The effect of mechanical strain…

Computational Physics · Physics 2019-05-28 Jayanta Bera , Satyajit Sahu

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…

Materials Science · Physics 2015-06-18 David M. Guzman , Alejandro Strachan

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…

In this work, we have presented a first principle simulation study on the electronic properties of MoS2/MX2/MoS2 (M=Mo or W; X=S or Se) trilayer heterostrcuture. We have investigated the effect of stacking configuration, bi-axial…

Computational Physics · Physics 2018-02-27 Kanak Datta , Quazi D. M. Khosru

Many printed electronic applications require strain-independent electrical properties to ensure deformation-independent performance. Thus, developing printed, flexible devices using 2D and other nanomaterials will require an understanding…

Mesoscale and Nanoscale Physics · Physics 2024-10-29 Eoin Caffrey , Tian Carey , Luke Doolan , Anthony Dawson , Emmet Coleman , Zdenek Sofer , Oran Cassidy , Cian Gabbett , Jonathan N. Coleman

Biaxial strain effects on electronic structures and thermoelectric properties of monolayer $\mathrm{PtTe_2}$ are investigated by using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC) for the electron part and GGA for…

Materials Science · Physics 2017-04-26 San-Dong Guo

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…

The ability to perform efficient electrical spin injection from ferromagnetic metals into two-dimensional semiconductor crystals based on transition metal dichalcogenide monolayers is a prerequisite for spintronic and valleytronic devices…

Materials Science · Physics 2018-03-29 Thomas Garandel , Rémi Arras , Xavier Marie , Pierre Renucci , Lionel Calmels

Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…

Materials Science · Physics 2024-12-10 Jun Liu , Mengqi Fang , Eui-Hyeok Yang , Xian Zhang

The production of new sensors, transducers and electronic components can benefit from the possibility to alter the electronic transport of metal-semicondutor-metal (MSM) devices. 2D materials are extremely appealing for those new…

Materials Science · Physics 2018-07-04 Igor Neri , Miquel López-Suárez

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…

Materials Science · Physics 2017-03-14 Bin Ouyang , Shiyun Xiong , Zhi Yang , Yuhang Jing , Yongjie Wang

Graphene/MoS2 heterostructures are formed by combining the nanosheets of graphene and monolayer MoS2. The electronic features of both constituent monolayers are rather well-preserved in the resultant heterostructure due to the weak van der…

Materials Science · Physics 2020-02-13 Sobhit Singh , Abdulrhman M. Alsharari , Sergio E. Ulloa , Aldo H. Romero

Biaxial strain dependence of electronic structures and thermoelectric properties of monolayer $\mathrm{MoS_2}$, including compressive and tensile strain, are investigated by using local-density approximation (LDA) plus spin-orbit coupling…

Materials Science · Physics 2016-02-12 San-Dong Guo

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

Strain engineering has arisen as a powerful technique to tune the electronic and optical properties of two-dimensional semiconductors like molybdenum disulfide (MoS2). Although several theoretical works predicted that biaxial strain would…

Applied Physics · Physics 2021-05-11 Felix Carrascoso , Riccardo Frisenda , Andres Castellanos-Gomez

The primary mechanism of operation of almost all transistors today relies on electric-field effect in a semiconducting channel to tune its conductivity from the conducting 'on'-state to a non-conducting 'off'-state. As transistors continue…

First-principles calculations, within the framework of density functional theory, have been performed on the well-studied 2H and the less explored 1T$^{\prime}$ phase of single-layer MoS$_{2}$. We have addressed the strain-induced…

Materials Science · Physics 2023-03-01 Saumen Chaudhuri , A. K. Das , G. P. Das , B. N. Dev

Mo$X_2$ ($X$=S or Se) is a semiconductor family with two-dimensional structure. And a recent calculation predicted the superconductivity in electron doped MoS$_2$ monolayer. In this work, the electronic structure and lattice dynamics of…

Materials Science · Physics 2016-04-29 Jun-Jie Zhang , Bin Gao , Shuai Dong

Molybdenum disulfide (MoS$_2$) is a promising candidate for 2D nanoelectronic devices, that shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS$_2$ upon both compressive and tensile strains…

Materials Science · Physics 2016-05-03 Miquel López-Suárez , Igor Neri , Riccardo Rurali