First-principles calculations of thermal electron emission from H^- in silicon

2020/05/28 by Yoshiyuki Yamamoto, Yamamoto, Yoshiyuki, Alpin Novianus Tatan +3
Engineering · Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Quantum and electron transport phenomena #Semiconductor materials and devices

paper · pdf · doi:10.48550/arxiv.2005.14103

openalex publication_date 2020/05/28 · openalex created_date 2020/06/05 · openalex updated_date 2026/07/28

Abstract

Thermal electron emission process of a hydrogen impurity is an important topic of fundamental semiconductor physics. Despite of decades-long study, theory is not established yet. Here, we study the process of H^- in silicon, \mathrmH^- → \mathrmH⁰ + e^-, using a first-principles calculation. Our calculation indicates that the process consists of two steps: slow diffusion of H^- from a tetrahedral site to a bond-center site, which is the rate-limiting step, and faster nonradiative transition from H^- to H⁰ + e^- that occurs subsequently at the body-center site. The calculated rate is consistent with a deep level transient spectroscopy experiment

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