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We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…

Mesoscale and Nanoscale Physics · Physics 2025-10-09 Yu-Chang Chen , Yu-Chen Chang

Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…

Materials Science · Physics 2023-01-18 Rongzhi Dong , Yuqi Song , Edirisuriya M. D. Siriwardane , Jianjun Hu

Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…

Materials Science · Physics 2017-11-22 Nicolas Onofrio , David Guzman , Alejandro Strachan

Superconductivity in few-layer semiconducting transition metal dichalcogenides (TMDs) can be induced by field-effect doping through ionic-liquid gating. While several experimental observations have been collected over the years, a…

Superconductivity · Physics 2024-09-24 Thibault Sohier , Marco Gibertini , Ivar Martin , Alberto F. Morpurgo

High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superconductors, we used a high-throughput workflow to screen over…

Superconductivity · Physics 2023-02-13 Daniel Wines , Kamal Choudhary , Adam J. Biacchi , Kevin F. Garrity , Francesca Tavazza

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…

Band-to-band tunnelling field-effect transistors (TFETs) have long been considered as promising candidates for future low-power logic applications. However, fabricated TFETs rarely reach sub-60 mV/dec sub-threshold swings (SS) at room…

Mesoscale and Nanoscale Physics · Physics 2024-11-01 Chen Hao Xia , Leonard Deuschle , Jiang Cao , Alexander Maeder , Mathieu Luisier

Two-dimensional transition metal dichalcogenides are among the most promising materials for water-splitting catalysts. While a variety of methods have been applied to promote the hydrogen evolution reaction on the transition metal…

Materials Science · Physics 2023-06-16 Sangjin Lee , Sujin Lee , Chaewon Kim , Young-Kyu Han

We report a bipolar field effect tunneling transistor that exploits to advantage the low density of states in graphene and its one atomic layer thickness. Our proof-of-concept devices are graphene heterostructures with atomically thin boron…

The performance and scalability of two-dimensional (2D) field-effect transistors (FETs) are strongly influenced by geometry-defined electrostatics. In most 2D FET studies, the gate overlaps with the source and drain electrodes, allowing the…

Mesoscale and Nanoscale Physics · Physics 2025-11-14 Victoria M. Ravel , Sarah R. Evans , Samantha K. Holmes , James L. Doherty , Md Sazzadur Rahman , Tania Roy , Aaron D. Franklin

In this article, we present a configurable field-effect transistor (FET), where not only polarity (n- and p-type), but the conduction mechanism of a FET can also be configured dynamically. As a result, we can have both types of devices,…

Mesoscale and Nanoscale Physics · Physics 2014-12-17 Chitrakant Sahu , Avinash Lahgere , Jawar Singh

The long term scaling prospects for solid-state quantum computing architectures relies heavily on the ability to simply and reliably measure and control the coherent electron interaction strength, known as the tunnel coupling, $t_c$. Here,…

In this paper, we report a novel chemical doping technique to reduce the contact resistance (Rc) of transition metal dichalcogenides (TMDs) - eliminating two major roadblocks (namely, doping and high Rc) towards demonstration of…

The influence of edge vacancies on the working ability of the planar graphene tunnel field-effect transistor (TFET) is studied at various concentrations and distributions (normal, uniform, periodic) of defects. All calculations are…

Materials Science · Physics 2017-08-02 A. A. Glebov , V. L. Katkov , V. A. Osipov

We report the transport properties of mechanically exfoliated few-layer SnSe$_{2}$ flakes, whose mobility is found with four probe measurements to be ~ 85 cm$^{2}$V$^{-1}$s$^{-1}$ at 300 K, higher than those of the majority of few-layer…

Mesoscale and Nanoscale Physics · Physics 2016-12-21 Chenglei Guo , Zhen Tian , Yanjun Xiao , Qixi Mi , Jiamin Xue

Band-to-band tunneling (BTBT) devices have recently gained a lot of interest due to their potential for reducing power dissipation in integrated circuits. We have performed extensive simulations for the BTBT operation of carbon nanotube…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Siyuranga O. Koswatta , Mark S. Lundstrom , Dmitri E. Nikonov

A T-shaped field-effect transistor, made out of a pair of two-dimensional electron gases, is modeled and studied. A simple numerical model is developed to study the electron distribution vs. applied gate voltage for different gate lengths.…

Condensed Matter · Physics 2009-10-28 G. A. Georgakis , Qian Niu

We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…

Mesoscale and Nanoscale Physics · Physics 2015-05-05 Thomas Brumme , Matteo Calandra , Francesco Mauri

The doping of semiconductor materials is a fundamental part of modern technology, but the classical approaches have in many cases reached their limits both in regard to achievable charge carrier density, as well as mobility. Modulation…

Materials Science · Physics 2019-07-08 Mirko Weidner , Anne Fuchs , Thorsten J. M. Bayer , Karsten Rachut , Getnet K. Deyu , Andreas Klein

We present a physics-based compact model for two-dimensional (2D) field-effect transistors (FETs) based on monolayer semiconductors such as MoS2. A semi-classical transport approach is appropriate for the 2D channel, enabling simplified…

Mesoscale and Nanoscale Physics · Physics 2019-08-14 Saurabh V. Suryavanshi , Eric Pop