Computational Screening and Multiscale Simulation of Barrier-Free Contacts for 2D Semiconductor pFETs
Computational Screening and Multiscale Simulation of Barrier-Free Contacts for 2D Semiconductor pFETs
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2D 半导体 pFET 无障碍接触的计算筛选和多尺度仿真
DOI：
10.1109/iedm45625.2022.10019377
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Ikeda, Junya
中科院分区：
文献类型：
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作者：
Yang, Ning;Lin, Yuxuan Cosmi;Chuu, Chih-Piao;Rahman, Saifur;Wu, Tong;Chou, Ang-Sheng;Liew, San-Lin;Fujiwara, Kohei;Chen, Hung-Yu;Ikeda, Junya
二维(2D)半导体的低阻p型接触仍然是2D沟道材料在先进逻辑技术中工业应用的关键挑战。为了解决这一挑战，我们通过结合从头算密度泛函理论(DFT)和量子器件模拟，通过计算筛选和识别超低电阻p型接触到2D半导体(如WSe2)的设计。范德华金属接触(如1H-NbS2)和体半金属接触(如Co3Sn2S2)两种新的接触策略被认为是实现2D半导体pFET无肖特基势垒和低接触电阻p型接触的现实途径。对这些新策略的模拟表明，金属诱导的带隙状态减少，肖特基势垒高度可以忽略不计，接触电阻很小(低至~20Ω·μm)。给出了研制新型半金属触头材料Co3Sn2S2的初步实验结果。
Low-resistance p-type contacts to two-dimensional (2D) semiconductors remains a critical challenge towards the industrial application of 2D channel materials in advanced logic technology. To address this challenge, we computationally screen and identify designs for ultralow-resistance p-type contacts to 2D semiconductors such as WSe2by combining ab initio density-functional-theory (DFT) and quantum device simulations. Two new contact strategies, van der Waals metallic contact (such as 1H-NbS2), and bulk semimetallic contact (such as Co3Sn2S2), are identified as realistic pathways to achieving Schottky-barrier-free and low-contact-resistance p-type contacts for 2D semiconductor pFETs. Simulations of these new strategies suggest reduced metal-induced gap states, negligible Schottky barrier height and small contact resistance (down to ~20 Ω·μm). Preliminary experimental results in developing Co3Sn2S2as a new semimetal contact material are also demonstrated.