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DFT-based layered dielectric model of few-layer MoS2
Solid-State Electronics ( IF 1.4 ) Pub Date : 2022-05-14 , DOI: 10.1016/j.sse.2022.108346 L. Donetti , C. Navarro , C. Marquez , C. Medina-Bailon , J.L. Padilla , F. Gamiz
中文翻译:
基于 DFT 的少层 MoS2 分层介电模型
更新日期:2022-05-14
Solid-State Electronics ( IF 1.4 ) Pub Date : 2022-05-14 , DOI: 10.1016/j.sse.2022.108346 L. Donetti , C. Navarro , C. Marquez , C. Medina-Bailon , J.L. Padilla , F. Gamiz
We employ atomistic calculations to study charge distribution in few-layer MoS2 structures with an applied perpendicular electric field. The results suggest a simple continuum model consisting of alternating regions which represent the semiconductor layers and the Van der Waals gaps between them. Such model is a first step towards an accurate simulation of MoS2 in TCAD tools.
中文翻译:
基于 DFT 的少层 MoS2 分层介电模型
我们采用原子计算来研究施加垂直电场的少层 MoS 2结构中的电荷分布。结果表明了一个简单的连续模型,该模型由代表半导体层的交替区域和它们之间的范德华间隙组成。这种模型是在 TCAD 工具中准确模拟 MoS 2的第一步。