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In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates…

Materials Science · Physics 2016-12-14 Giovanni Pizzi , Marco Gibertini , Elias Dib , Nicola Marzari , Giuseppe Iannaccone , Gianluca Fiori

Quasi-one-dimensional transition-metal chalcogenide Ta$_2$PdSe$_6$ is a promising thermoelectric semimetal due to the strong electron-hole asymmetry in the carrier lifetime. However, the microscopic origin of such a strong asymmetry remains…

Materials Science · Physics 2026-03-13 Masayuki Ochi , Hitoshi Mori , Akitoshi Nakano

2D transition metal dichalcogenides (TMDs) have attracted a lot of attention recently for energy-efficient tunneling-field-effect transistor (TFET) applications due to their excellent gate control resulting from their atomically thin…

Mesoscale and Nanoscale Physics · Physics 2016-08-22 Tarek A. Ameen , Hesameddin Ilatikhameneh , Gerhard Klimeck , Rajib Rahman

It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decreased densities of electron and phonon states. In this work,…

Materials Science · Physics 2022-04-26 Shiru Song , Ji-Hui Yang , Xin-Gao Gong

The electron transport properties of atomically thin semiconductors such as MoS2 have attracted significant recent scrutiny and controversy. In this work, the scattering mechanisms responsible for limiting the mobility of single layer…

Mesoscale and Nanoscale Physics · Physics 2014-03-25 Nan Ma , Debdeep Jena

We report the performance of field-effect transistors (FETs), comprised of mono-layer of recently synthesized layered two-dimensional MoSi2N_4 as channel material, using the first principles quantum transport simulations. The devices'…

Mesoscale and Nanoscale Physics · Physics 2022-05-11 Keshari Nandan , Barun Ghosh , Amit Agarwal , Somnath Bhowmick , Yogesh S. Chauhan

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

Materials Science · Physics 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. An important property for these applications is the phonon-limited charge carrier mobility. The common approach to…

Materials Science · Physics 2022-10-05 Chenmu Zhang , Yuanyue Liu

The scattering effects are studied in nanometer-scaled double-gate MOSFET, using Monte Carlo simulation. The non-equilibrium transport in the channel is analyzed with the help of the spectroscopy of the number of scatterings experienced by…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Saint Martin , A. Bournel , P. Dollfus

The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical quantities related to phonons in semiconductors. However, for…

Two-dimensional gallium nitride (2D-GaN) has great potential in power electronics and optoelectronics. Heat dissipation is a critical issue for these applications of 2D-GaN. Previous studies showed that higher-order phonon-phonon scattering…

Materials Science · Physics 2024-03-12 Jianshi Sun , Xiangjun Liu , Yucheng Xiong , Yuhang Yao , Xiaolong Yang , Cheng Shao , Shouhang Li

We examine an effect of acoustic phonon scattering on an electric conductivity of single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous…

Materials Science · Physics 2020-09-30 Yoshikazu Suzumura , Reizo Kato , Masao Ogata

Classical thermal transport theories that preserve rotational symmetry, predict strong anharmonic scattering of out-of-plane lattice vibrational modes called flexural phonons in flat suspended graphene sheets. Such strong scattering…

Materials Science · Physics 2026-04-07 Navaneetha K. Ravichandran

Theoretical calculations of carrier transport in single-walled carbon nanotubes are compared with recent experiments. Carrier-phonon scattering is accounted for using the deformation potential approximation. Comparing with experiments, a…

Materials Science · Physics 2015-06-25 G. Pennington , A. Akturk , N. Goldsman , A. Wickenden

For high efficiency thermoelectric power conversion not only improvement of materials properties but also prediction and synthesis of new thermoelectric materials is needed. Here we have carried out a systematic investigation on…

Materials Science · Physics 2021-01-25 Jayanta Bera , Atanu Betal , Satyajit Sahu

In this work, the performance of Tunnel Field-Effect Transistors (TFETs) based on two-dimensional Transition Metal Dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. One of the major challenges of…

Inelastic phonon scattering in graphene field-effect transistors (FETs) is studied by numerically solving the Boltzmann transport equation in three dimensional real and phase spaces (x, kx, ky). A kink behavior due to ambipolar transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Jyotsna Chauhan , Jing Guo

Intervalley collisions, which scatter electrons from one valley or band to another, can be detrimental to thermoelectric performance in materials with multiple valleys/bands. In this study, density functional theory is used to investigate…

Materials Science · Physics 2023-02-08 Vahid Askarpour , Jesse Maassen

Channel length scaling in graphene field effect transistors (GFETs) is key in the pursuit of higher performance in radio frequency electronics for both rigid and flexible substrates. Although two-dimensional (2D) materials provide a…

Mesoscale and Nanoscale Physics · Physics 2016-06-24 Pedro C. Feijoo , David Jiménez , Xavier Cartoixà

Two-dimensional (2D) materials are particularly attractive to build the channel of next-generation field-effect transistors (FETs) with gate lengths below 10-15 nm. Because the 2D technology has not yet reached the same level of maturity as…

Mesoscale and Nanoscale Physics · Physics 2023-10-30 Mathieu Luisier , Cedric Klinkert , Sara Fiore , Jonathan Backman , Youseung Lee , Christian Stieger , Áron Szabó