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We present a quasi-analytical model for Tunnel Field Effect Transistors (TFETs) that includes the microscopic physics and chemistry of interfaces and non-idealities. The ballistic band-to-band tunneling current is calculated by modifying…

Materials Science · Physics 2018-11-14 Sheikh Z. Ahmed , Yaohua Tan , Daniel S. Truesdell , Benton H. Calhoun , Avik W. Ghosh

This paper projects the enhanced drive current of a n-type electrostatically doped (ED) tunnel field-effect transistor (ED-TFET) based on heterojunction and band-gap engineering via TCAD 2-D device simulations. The homojunction ED-TFET…

Mesoscale and Nanoscale Physics · Physics 2015-12-22 Kanchan Cecil , Jawar Singh

The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in…

In this review, we discuss the impact of interfaces and heterojuctions on the electronic and thermoelectric transport properties of materials. We review recent progress in understanding electronic transport in two-dimensional (2D) materials…

Mesoscale and Nanoscale Physics · Physics 2019-10-02 Arnab K. Majee , Adithya Kommini , Zlatan Aksamija

Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…

Materials Science · Physics 2025-12-22 Jijie Zou , Zhanghao Zhouyin , Qiangqiang Gu , Shishir Kumar Pandey

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

Either in bulk form, or when exfoliated into atomically thin crystals, layered transition metal dichalcogenides are continuously leading to the discovery of new phenomena. The latest example is provided by 1T'-WTe$_2$, a semimetal recently…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 Lin Wang , Ignacio Gutiérrez-Lezama , Céline Barreteau , Nicolas Ubrig , Enrico Giannini , A. F. Morpurgo

We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…

Mesoscale and Nanoscale Physics · Physics 2013-09-12 Hannu-Pekka Komsa , Arkady V. Krasheninnikov

Using Density functional theory and non-equilibrium Green's function formalism, spin dependent electron transport in Fe/Mo$_x$Cr$_{1-x}$S$_2$/Fe magnetic tunnel junction is studied. Spin transport for different thicknesses (1, 3, 5, and 7…

Materials Science · Physics 2026-01-06 Aloka Ranjan Sahoo , Sharat Chandra

This paper discusses the topological and transport properties of binary heterostructures of different topological materials. The creation of multilayer devices is an alternative to building synthetic topological materials. By adjusting the…

Mesoscale and Nanoscale Physics · Physics 2023-06-16 R. Pineda , W. Herrera

Using self-consistent quantum transport simulation on realistic devices, we show that InAs band-to-band Tunneling Field Effect Transistors (TFET) with a heavily doped pocket in the gate-source overlap region can offer larger ON current and…

Mesoscale and Nanoscale Physics · Physics 2010-11-17 Kartik Ganapathi , Youngki Yoon , Sayeef Salahuddin

Transition Metal Dichalcogenides (TMDs) are one of the most studied two-dimensional materials in the last 5-10 years due to their extremely interesting layer dependent properties. Despite the presence of vast research work on TMDs, the…

Chemical Physics · Physics 2019-11-27 Kamalika Ghatak , Kyung Nam Kang , Eui-Hyeok Yang , Dibakar Datta

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

MoTe$_2$ is an exfoliable transition metal dichalcogenide (TMD) which crystallizes in three symmetries, the semiconducting trigonal-prismatic $2H-$phase, the semimetallic $1T^{\prime}$ monoclinic phase, and the semimetallic orthorhombic…

Two-terminal spintronic devices remain challenging to model under realistic operating conditions, where the interplay of complex electronic structures, correlation effects and bias-driven non-equilibrium dynamics may significantly impact…

Strongly Correlated Electrons · Physics 2025-11-25 Declan Nell , Milos Radonjic , Ivan Rungger , Liviu Chioncel , Stefano Sanvito , Andrea Droghetti

We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 E. Ridolfi , D. Le , T. S. Rahman , E. R. Mucciolo , C. H. Lewenkopf

In this work, we have investigated a 2D model of band-to-band tunneling based on 2-band model and implemented it using 2D NEGF formalism. Being 2D in nature, this model better addresses the variation in the directionality of the tunneling…

Computational Engineering, Finance, and Science · Computer Science 2020-03-30 Md Shamim Hussain

Steep transistors are crucial in lowering power consumption of the integrated circuits. However, the difficulties in achieving steepness beyond the Boltzmann limit experimentally have hindered the fundamental challenges in application of…

Mesoscale and Nanoscale Physics · Physics 2018-05-09 Hesameddin Ilatikhameneh , Tarek Ameen , ChinYi Chen , Gerhard Klimeck , Rajib Rahman

Layered two-dimensional (2D) materials provide unique structural features, such as physical gaps between their layers that are only connected through van der Waals (vdW) forces. These vdW gaps can guide the migration of intercalated ions…

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
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