Scholarlink

<p>As semiconductor devices approach the sub-2 nm technology node, identifying the fundamental quantum limits of contact-resistance scaling becomes imperative; however, the transition from thermionic emission to direct tunneling remains experimentally inaccessible and theoretically ill-defined. Herein, based on multi-space constrained-search density functional theory, which self-consistently treats carrier injection and diffusive transport physics under finite bias, we perform ab initio transfer length method analyses for monolayer MoS₂ contacted by Sc, Ag, Au, and Pd electrodes in both top-contact and edge-contact geometries. We find a robust crossover in resistance scaling from metal-induced-gap-states-mediated direct tunneling in the sub-10 nm regime to thermionic emission at longer channel lengths. The extracted transition length provides a rigorous first-principles measure of the critical tunneling length, establishing a physically grounded metric for contact quality and the source-to-drain tunneling limit of 2D transistors. The method further identifies optimal contact strategies: low-work-function metal top contacts for n-type operation and high-work-function metal edge contacts for p-type operation, providing practical guidelines for scalable low-resistance contact engineering.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Ab initio transfer length method simulations of tunneling limits in 2D semiconductors

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年5月28日

查看全文
  • Tae Hyung Kim,
  • Juho Lee,
  • Yong-Hoon Kim

摘要

As semiconductor devices approach the sub-2 nm technology node, identifying the fundamental quantum limits of contact-resistance scaling becomes imperative; however, the transition from thermionic emission to direct tunneling remains experimentally inaccessible and theoretically ill-defined. Herein, based on multi-space constrained-search density functional theory, which self-consistently treats carrier injection and diffusive transport physics under finite bias, we perform ab initio transfer length method analyses for monolayer MoS₂ contacted by Sc, Ag, Au, and Pd electrodes in both top-contact and edge-contact geometries. We find a robust crossover in resistance scaling from metal-induced-gap-states-mediated direct tunneling in the sub-10 nm regime to thermionic emission at longer channel lengths. The extracted transition length provides a rigorous first-principles measure of the critical tunneling length, establishing a physically grounded metric for contact quality and the source-to-drain tunneling limit of 2D transistors. The method further identifies optimal contact strategies: low-work-function metal top contacts for n-type operation and high-work-function metal edge contacts for p-type operation, providing practical guidelines for scalable low-resistance contact engineering.