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Related papers: Defect-induced conductivity anisotropy in MoS2 mon…

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We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…

Materials Science · Physics 2015-02-13 Amretashis Sengupta , Dipankar Saha , Thomas A. Niehaus , Santanu Mahapatra

Electronic and thermoelectric properties of a two-dimensional MoS2 monolayer containing atomic defects are investigated using density functional theory. All the atomic defects have been found to exhibit endothermic nature. Electronic…

Mesoscale and Nanoscale Physics · Physics 2019-05-17 Munish Sharma , Ashok Kumar , P. K. Ahluwalia

Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the…

Materials Science · Physics 2013-05-30 Andrey N. Enyashin , Maya Bar-Sadan , Lothar Houben , Gotthard Seifert

Defects usually play an important role in tuning and modifying various properties of semiconducting or insulating materials. Therefore we study the impact of point and line defects on the electronic structure and optical properties of MoS2…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Jens Kunstmann , Tsegabirhan B. Wendumu , Gotthard Seifert

The anisotropy of the electronic transition is an important physical property not only determining the materials' optical property, but also revealing the underlying character of the electronic states involved. Here we used…

Materials Science · Physics 2016-03-09 Jinhua Hong , Kun Li , Chuanhong Jin , Xixiang Zhang , Ze Zhang , Jun Yuan

Charge transport in MoS2 in the low carrier density regime is dominated by trap states and band edge disorder. The intrinsic transport properties of MoS2 emerge in the high density regime where conduction occurs via extended states. Here,…

Mesoscale and Nanoscale Physics · Physics 2014-12-08 Leiqiang Chu , Hennrik Schmidt , Jiang Pu , Shunfeng Wang , Barbaros Özyilmaz , Taishi Takenobu , Goki Eda

Ab-initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect-free…

Materials Science · Physics 2013-08-14 Kapildeb Dolui , Ivan Rungger , Stefano Sanvito

Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…

Materials Science · Physics 2014-03-04 Mahdi Ghorbani-Asl , Stefano Borini , Agnieszka Kuc , Thomas Heine

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Xiaodong Li , Jeffrey T. Mullen , Zhenghe Jin , Kostyantyn M. Borysenko , M. Buongiorno Nardelli , Ki Wook Kim

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

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

The anisotropy of the electronic transition is a well-known characteristic of low-dimensional transition-metal dichalcogenides, but their layer-thickness dependence has not been properly in- vestigated experimentally until now. Yet, it not…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Jinhua Hong , Kun Li , Chuanhong Jin , Xixiang Zhang , Ze Zhang , Jun Yuan

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…

Mesoscale and Nanoscale Physics · Physics 2017-02-02 Emilia Ridolfi , Leandro R. F. Lima , Eduardo R. Mucciolo , Caio H. Lewenkopf

Atomic vacancies, such as chalcogen vacancies in 2D TMDs, are important in changing the host material's electronic structure and transport properties. We present a straightforward one-step method for growing monolayer MoS2 utilizing…

Mesoscale and Nanoscale Physics · Physics 2024-05-28 Sudipta Majumder , Vaibhav Walve , Rahul Chand , Gokul M. A. , Sooyeon Hwang , G. V. Pavan Kumar , Aparna Deshpande , Atikur Rahman

We study electrical transport properties in exfoliated molybdenum disulfide (MoS2) back-gated field effect transistors at low drain bias and under different illumination intensities. It is found that photoconductive and photogating effect…

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

We address the ballistic transmission of charge carriers across ordered line defects in monolayer transition metal dichalcogenides. Our study reveals the presence of a transport gap driven by spin-orbit interactions, spin and valley…

Mesoscale and Nanoscale Physics · Physics 2016-06-23 Artem Pulkin , Oleg V. Yazyev

Transition metal dichalcogenides are investigated for various applications at the nanoscale thanks to their unique combination of properties and dimensionality. For many of the anticipated applications, heat conduction plays an important…

Materials Science · Physics 2024-03-22 Srinivisan Mahendran , Jesús Carrete , Andreas Isacsson , Georg K. H. Madsen , Paul Erhart

By using first-principles calculations, we investigated the monolayer $ReS_2$ with vacancies under strain engineering, specifically focusing on its energy of formation, band gap, electron density of states, effective mass and optical…

Materials Science · Physics 2016-11-28 Y. M. Min , L. Z. Liu

We show that the conductivity of a two-dimensional electron gas can be intrinsically anisotropic despite isotropic Fermi surface, energy dispersion, and disorder configuration. In the model we study, the anisotropy stems from the interplay…

Mesoscale and Nanoscale Physics · Physics 2019-07-24 Maxim Trushin , Antonio H. Castro Neto , Giovanni Vignale , Dimitrie Culcer
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