Unveiling the structure and electronic characteristics of amorphous GeS for high performance threshold switching Article Swipe

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Chong Qiao , Shengzhao Wang , Lanli Chen , Bin Liu , Shouyan Bai , Rongchuan Gu , Songyou Wang , Cai‐Zhuang Wang , Kai‐Ming Ho , Xiangshui Miao , Ming Xu ·

YOU? · · 2023 · Open Access · · DOI: https://doi.org/10.1063/5.0166245

Ovonic threshold switching selectors are widely studied owing to the essential application in high density phase-change memory. Amorphous GeS is proposed as a potential candidate for the excellent performance. However, the knowledge of amorphous GeS is still insufficient up to date. Here, we have studied the structure and electronic characteristics of GeS in the amorphization process, by using ab initio molecular dynamics simulations. The results indicate that the amorphous GeS is mainly made up of Ge–S bonds. The Ge- and S-centered clusters are dominantly in the form of octahedral structures in liquid GeS. During the amorphization process, most of Ge-centered clusters become highly coordinated octahedrons while a small number of Ge-centered clusters change to tetrahedrons, and the S-centered clusters deviate from the octahedral structure gradually. In addition, the large bandgap and the relatively small mid-gap states in amorphous GeS lead to a high switching voltage.

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Condensed Matter Physics

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Amorphous solid Materials science Octahedron Tetrahedron Band gap Chemical physics Ab initio Molecular dynamics Ab initio quantum chemistry methods Condensed matter physics Crystallography Nanotechnology Crystal structure Optoelectronics Computational chemistry Chemistry Molecule Physics Organic chemistry

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Type: article
Language: en
Landing Page: https://doi.org/10.1063/5.0166245
OA Status: green
Cited By: 8
References: 50
Related Works: 10
OpenAlex ID: https://openalex.org/W4386688643

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DOI: https://doi.org/10.1063/5.0166245

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Title: Unveiling the structure and electronic characteristics of amorphous GeS for high performance threshold switching

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Language: en

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Publication year: 2023

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Publication date: 2023-09-11

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Authors: Chong Qiao, Shengzhao Wang, Lanli Chen, Bin Liu, Shouyan Bai, Rongchuan Gu, Songyou Wang, Cai‐Zhuang Wang, Kai‐Ming Ho, Xiangshui Miao, Ming Xu

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Landing page: https://doi.org/10.1063/5.0166245

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Concepts: Amorphous solid, Materials science, Octahedron, Tetrahedron, Band gap, Chemical physics, Ab initio, Molecular dynamics, Ab initio quantum chemistry methods, Condensed matter physics, Crystallography, Nanotechnology, Crystal structure, Optoelectronics, Computational chemistry, Chemistry, Molecule, Physics, Organic chemistry

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Cited by: 8

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