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The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired…

Materials Science · Physics 2020-07-01 Artem Pulkin , Garnet Kin-Lic Chan

Optical second-harmonic generation (SHG) is a nonlinear parametric process that doubles the frequency of incoming light. Only allowed in non-centrosymmetric materials, it has been widely used in frequency modulation of lasers, surface…

Materials Science · Physics 2021-01-05 Wontaek Kim , Je Yhoung Ahn , Juseung Oh , Ji Hoon Shim , Sunmin Ryu

The in-plane anisotropic properties of two-dimensional (2D) group IV monochalcogenides provide an additional degree of freedom which can be used in future optoelectronic devices. Here, it is shown that the third harmonic generation (THG)…

We have studied on optical second harmonic generations (SHGs) from atomically thin MoTe2 flakes with 2H and 1T' phases. From 2H-MoTe2 samples with odd (even) numbers of layers, strong (negligible) SHGs are observed due to the…

Optics · Physics 2018-05-25 Yu Song , Ruijuan Tian , Jiulong Yang , Rui Yin , Jianlin Zhao , Xuetao Gan

Monolayer Molybdenum disulfide (MoS2), a two-dimensional crystal with a direct bandgap, is a promising candidate for 2D nanoelectronic devices complementing graphene. There have been recent attempts to produce MoS2 layers via chemical and…

Materials Science · Physics 2011-11-23 Yongjie Zhan , Zheng Liu , Sina Najmaei , Pulickel M. Ajayan , Jun Lou

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 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

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

2D materials with nontrivial energy bands are highly desirable for exploring various topological phases of matter, as low dimensionality opens unprecedented opportunities for manipulating the quantum states. Here, it is reported that…

Mesoscale and Nanoscale Physics · Physics 2020-01-17 Chenqiang Hua , Si Li , Zhu-An Xu , Yi Zheng , Shengyuan A. Yang , Yunhao Lu

We report here gate-tunable memristors based on monolayer MoS2 grown by chemical vapor deposition (CVD). These memristors are fabricated in a field-effect geometry with the channel consisting of polycrystalline MoS2 films with grain sizes…

Applied Physics · Physics 2018-03-02 Vinod K. Sangwan , Hong-Sub Lee , Mark C. Hersam

We analyze the electronic structure and level alignment of transition-metal phthalocyanine (MPc) molecules adsorbed on two-dimensional MoS$_2$ employing density functional theory (DFT) calculations. We develop a procedure for…

Materials Science · Physics 2024-06-12 Qunfei Zhou , Zhen-Fei Liu , Tobin J. Marks , Pierre Darancet

Electrical and optical characterization of two-dimensional/three-dimensional (2D/3D) p-molybdenum disulfide/n-gallium nitride (p-MoS2/n-GaN) heterojunction diodes are reported. Devices were fabricated on high-quality, large-area p-MoS2…

We present theoretical investigations of high-order harmonic generation (HHG) resulting from the interaction of noble gases with localized surface plasmons. These plasmonic fields are produced when a metal nanoparticle is subject to a…

We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian…

Mesoscale and Nanoscale Physics · Physics 2013-11-27 Jiwon Chang , Leonard F. Register , Sanjay K. Banerjee

We demonstrated nonperturbative high harmonics induced by intense mid-infrared light up to 18th order that well exceed the material bandgap in monolayer transition metal dichalcogenides. The intensities of the even-order high-harmonic…

Mesoscale and Nanoscale Physics · Physics 2019-08-20 Naotaka Yoshikawa , Kohei Nagai , Kento Uchida , Yuhei Takaguchi , Shogo Sasaki , Yasumitsu Miyata , Koichiro Tanaka

Two-dimensional (2D) transition metal dichalcogenides (TMDs), such as MoS2, have the potential to be widely used in electronic devices and sensors due to their high carrier mobility and tunable band structure. In 2D TMD devices, surface and…

Two-dimensional (2D) 1T-VSe$_2$ has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) states and the interplay between the two. We employed a combined…

Two-dimensional (2D) semiconductors are promising candidates for scaled transistors because they are immune to mobility degradation at the monolayer limit. However, sub-10 nm scaling of 2D semiconductors, such as MoS2, is limited by the…

Materials Science · Physics 2022-02-22 Aravindh Kumar , Alvin Tang , H. -S. Philip Wong , Krishna Saraswat

Unlike Si, 2-dimensional (2D) Transition Metal Dichalcogenides (TMDs) offer atomically thin channels for carrier transport in FETs. Despite advantages like superior gate control, steep sub-threshold swing and high carrier mobility offered…

Applied Physics · Physics 2019-01-09 Ansh , Jeevesh Kumar , Ravi K Mishra , Srinivasan Raghavan , Mayank Shrivastava

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes
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