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Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…

Materials Science · Physics 2024-02-16 Stefan Velja , Jannis Krumland , Caterina Cocchi

Thicknesses-dependent performances of metal-multilayered semiconductor junctions have attracted increasing attention, but till present, the mechanism of interaction and the resulting charge distribution at interfaces which control the…

Materials Science · Physics 2019-10-30 Qian Wang , Yangfan Shao , Xingqiang Shi

Monolayer transition metal dichalcogenides are novel, gapped two-dimensional materials. Toward device applications, we consider MoS$_2$ layers on dielectrics, in particular in this work, the effect of vacancies on the electronic structure.…

Mesoscale and Nanoscale Physics · Physics 2016-06-10 Amithraj Valsaraj , Jiwon Chang , Amritesh Rai , Leonard F. Register , Sanjay K. Banerjee

We propose a steep-slope MoS2-nanoribbon field-effect transistor that exploits a narrow-energy conduction band to intrinsically filter out the thermionic tail of the electron energy distribution. We study the device operation principle and…

Mesoscale and Nanoscale Physics · Physics 2020-02-19 D. Logoteta , M. G. Pala , J. Choukroun , P. Dollfus , G. Iannaccone

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Mesoscale and Nanoscale Physics · Physics 2016-10-03 Morteza Kayyalha , Jesse Maassen , Mark Lundstrom , Li Shi , Yong P. Chen

For the first time, n-type few-layer MoS2 field-effect transistors with graphene/Ti as the hetero-contacts have been fabricated, showing more than 160 mA/mm drain current at 1 {\mu}m gate length with an on-off current ratio of 107. The…

Materials Science · Physics 2014-05-13 Yuchen Du , Lingming Yang , Jingyun Zhang , Han Liu , Kausik Majumdar , Paul D. Kirsch , Peide D. Ye

First principles density functional theory based calculations have been performed to investigate the strain and temperature induced tunability of the thermoelectric properties of monolayer (ML) MoS$_2$. Modifications in the electronic and…

Materials Science · Physics 2023-08-02 Saumen Chaudhuri , Amrita Bhattacharya , A. K. Das , G. P. Das , B. N. Dev

Excellent gate electrostatics in field effect transistors (FETs) based on two-dimensional transition metal dichalcogenide (2D TMD) channels can dramatically decrease static power dissipation. Energy efficient FETs operate in enhancement…

Transition metal nitrides are a fascinating class of hard coating material that provide an excellent platform for investigating superconductivity and fundamental electron phonon interactions. In this work the structural morphological and…

Understanding the thermoelastic response of a nanostructure is crucial for the choice of materials and interfaces in electronic devices with improved and tailored transport properties, at the length scales of the present technology. Here we…

Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…

Materials Science · Physics 2014-02-10 Santosh KC , Roberto C. Longo , Robert M. Wallace , Kyeongjae Cho

The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…

Computational Physics · Physics 2021-12-01 Mohammad Bahmani , Mahdi Ghorbani-Asl , Thomas Frauenheim

The integration of high-k dielectrics with two-dimensional (2D) semiconductors is a critical step towards high-performance nanoelectronics, which however remains challenging due to high density of interface states and the damage to the…

Among the interfacial transport modulations to the LaAlO3/SrTiO3 (LAO/STO) heterostructure, mechanical strain has been proven to be an effective approach by growing the LAO/STO films on different substrates with varying lattice mismatches…

Materials Science · Physics 2016-07-12 Fang Zhang , Yue-Wen Fang , Ngai Yui Chan , Wing Chong Lo , Dan Feng Li , Chun-Gang Duan , Feng Ding , Ji Yan Dai

Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…

To realize a thermoelectric power generator, typically a junction between two materials with different Seebeck coefficient needs to be fabricated. Such difference in Seebeck coefficients can be induced by doping, which renders difficult…

Two-dimensional polyaniline monolayer (C3N) has been recently synthesized as an indirect semiconductor with high electron mobility. In this research, with combination of density functional theory and Green function formalism, we investigate…

Mesoscale and Nanoscale Physics · Physics 2019-02-06 Sahar Izadi Vishkayi , Meysam Bagheri Tagani

Thin film effects on the Magnetocrystalline Anisotropy Energy (MAE) of MnN were studied using density functional theory (DFT). Initially, strain effects on bulk MnN were considered as a proxy for lattice-matching induced strain and a linear…

Materials Science · Physics 2025-12-16 Robert A. Lawrence , Matt I. J. Probert

This study delves into the interaction between a monolayer of molybdenum disulfide (MoS$_2$) and a single Perylene Orange (PO) molecule, representative of inorganic and organic semiconductor materials, respectively. Investigation of the…

Materials Science · Physics 2024-07-16 Mohammed El Amine Miloudi , Oliver Kühn

We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…