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We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…

Mesoscale and Nanoscale Physics · Physics 2014-03-05 Ning Lu , Hongyan Guo , Lei Li , Jun Dai , Lu Wang , Wai-Ning Mei , Xiaojun Wu , Xiao Cheng Zeng

The discovery of graphene has put the spotlight on other layered materials including transition metal dichalcogenites (TMD) as building blocks for novel heterostructures assembled from stacked atomic layers. Molybdenum disulfide, MoS2, a…

Mesoscale and Nanoscale Physics · Physics 2014-09-19 Chih-Pin Lu , Guohong Li , Jinhai Mao , Li-Min Wang , Eva Y. Andrei

We propose a semi-suspended device structure and construct nanogapped, hysteresis-free field-effect transistors (FETs), based on the van der Waals stacking technique. The structure, which features a semi-suspended channel above a…

Mesoscale and Nanoscale Physics · Physics 2023-06-29 Jiachen Tang , Luhao Liu , Yinjiang Shao , Xinran Wang , Yi Shi , Songlin Li

Stacked van der Waals (vdW) heterostructures where semi-conducting two-dimensional (2D) materials are contacted by overlayed graphene electrodes enable atomically-thin, flexible electronics. We use first-principles quantum transport…

Materials Science · Physics 2017-05-24 Daniele Stradi , Nick R. Papior , Mads Brandbyge

Two-dimensional (2D) semiconductors are likely to dominate next-generation electronics due to their advantages in compactness and low power consumption. However, challenges such as high contact resistance and inefficient doping hinder their…

Materials Science · Physics 2024-10-11 Raagya Arora , Ariel R. Barr , Daniel T. Larson , Michele Pizzochero , Efthimios Kaxiras

We present a scaling theory of two-dimensional (2D) field effect transistors (FETs). For devices with channel thickness less than 4 nm, the device electrostatics is dominated by the physical gate oxide thickness and not the effective oxide…

Mesoscale and Nanoscale Physics · Physics 2021-05-25 Saurabh V. Suryavanshi , Chris D. English , H. -S. P. Wong , Eric Pop

Successful synthesis of the nitrogenated holey two-dimensional structures C2N (Nat. Commun. 2015, 6, 1-7) using simply wet-chemical reaction offer a cost-effective way to generate other 2D materials with novel optical and electronic…

Materials Science · Physics 2015-05-12 Ruiqi Zhang , Bin Li , Jinlong Yang

As a way to further improve the electronic properties of group V layered semiconductors, we propose to form in-layer 2D heterostructures of black phosphorus and grey arsenic. We use \textit{ab initio} density functional theory to optimize…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Zhen Zhu , Jie Guan , David Tomanek

We investigate a two-dimensional (2D) heterostructure consisting of few-layer direct bandgap ReS2, a thin h-BN layer and a monolayer graphene for application to various electronic devices. Metal-insulator-semiconductor (MIS)-type devices…

Mesoscale and Nanoscale Physics · Physics 2020-12-08 Bablu Mukherjee , Ryoma Hayakawa , Kenji Watanabe , Takashi Taniguchi , Shu Nakaharai , Yutaka Wakayama

Heterostructures of transition metal oxides (TMO) perovskites represent an ideal platform to explore exotic phenomena involving the complex interplay between the spin, charge, orbital and lattice degrees of freedom available in these…

Few-layer black phosphorus, a new elemental 2D material recently isolated by mechanical exfoliation, is a high-mobility layered semiconductor with a direct bandgap that is predicted to strongly depend on the number of layers, from 0.35 eV…

The band gap of two-dimensional (2D) semiconductors can be efficiently tuned by gate electric field, which is so called the Stark effect. We report that doping, which is essential in realistic devices, will substantially change the Stark…

Materials Science · Physics 2017-12-14 Xiaobo Lu , Li Yang

Layered two-dimensional (2D) materials, with their atomic-scale thickness and tunable electronic, optical, and mechanical properties, open many promising pathways to significantly advance modern electronics. The field effect caused by a…

Thanks to their unique properties single-layer 2-D materials appear as excellent candidates to extend Moore's scaling law beyond the currently manufactured silicon FinFETs. However, the known 2-D semiconducting components, essentially…

Mesoscale and Nanoscale Physics · Physics 2020-06-30 Cedric Klinkert , Áron Szabó , Christian Stieger , Davide Campi , Nicola Marzari , Mathieu Luisier

We used first-principles calculations to investigate the laterally stitched monolayered MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures. The structural stability of such heterostructures is confirmed by the phonon spectra exhibiting no…

Monolayer transition-metal dichalcogenides (TMDCs) present high second-order optical nonlinearity, which is extremely desirable for, e.g., frequency conversion in nonlinear photonic devices. On the other hand, the atomic thickness of 2D…

Mesoscale and Nanoscale Physics · Physics 2020-11-17 Pilar G. Vianna , Aline dos S. Almeida , Rodrigo M. Gerosa , Dario A. Bahamon , Christiano J. S. de Matos

We report on fabrication of novel field-effect transistors (FETs) based on transition metal dichalcogenides. The unique structure of single crystals of these layered inorganic semiconductors enables fabrication of FETs with intrinsically…

Materials Science · Physics 2009-11-10 V. Podzorov , M. E. Gershenson , Ch. Kloc , R. Zeis , E. Bucher

Hydrostatic pressure applied using diamond anvil cells (DAC) has been widely explored to modulate physical properties of materials by tuning their lattice degree of freedom. Independently, electrical field is able to tune the electronic…

Transition-metal-based layered double hydroxides (TM-LDHs) nanosheets are promising electrocatalysts in the renewable electrochemical energy conversion system, which are regarded as alternatives to noble metal-based materials. In this…

Applied Physics · Physics 2024-03-26 Yuchen Wang , Man Zhang , Yaoyu Liu , Zhikeng Zheng , Biying Liu , Meng Chen , Guoqing Guan , Kai Yan

In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…

Materials Science · Physics 2024-01-18 Oguzhan Orhan , Şener Özönder , Soner Ozgen