Ab-initio simulation of dissipative transport in tunnel devices based on heterostructures of 2D materials

IF 2.2 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Computational Electronics Pub Date : 2023-07-11 DOI:10.1007/s10825-023-02080-2

Adel M’foukh, Jérôme Saint-Martin, Philippe Dollfus, Marco Pala

引用次数: 0

Abstract

We present a first-principles model to study tunnel transistors based on van der Waals heterojunctions of 2D materials in the presence of dissipative mechanisms due to the electron–phonon interaction. To this purpose, we employed a reduced basis set composed of unit-cell restricted Bloch functions computed with a plane wave ab-initio solver and performed self-consistent quantum transport simulations within the non-equilibrium Green’s functions formalism. Phonon scattering was included with specific self-energies making use of the deformation potential approximation for the electron–phonon coupling. Our simulations identify the van der Waals tunnel FET as a promising option to attain high on-state currents at low supply voltages, but also show a strong impact of the phonon scattering on the transport properties of such device in the sub-threshold regime.

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基于二维材料异质结构的隧道器件耗散输运的从头算模拟

我们提出了一个第一性原理模型，用于研究在电子-声子相互作用导致的耗散机制存在的情况下，基于二维材料范德华异质结的隧道晶体管。为此，我们使用了一个由平面波从头算求解器计算的单位胞限制布洛赫函数组成的简化基集，并在非平衡格林函数形式下进行了自洽量子输运模拟。利用电子-声子耦合的变形势近似，将声子散射与比自能相结合。我们的模拟表明，范德华隧道FET是一种很有前途的选择，可以在低电源电压下获得高导通电流，但也表明在亚阈值范围内，声子散射对这种器件的传输特性有很大影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.