Structural and Electrical Properties of BexZn1-xO Alloys under High Pressure

• 作者: Yanling Zhang Xiaozhu Hao Yanping Huang Fubo Tian Da Li Youchun Wang Hao Song Defang Duan
• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2021,（2）
• 所属期刊栏目: CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES
• 页码范围: 46-50
• 页数: 5页
• 语种: 英文
• DOI: 10.1088/0256-307X/38/2/026101

摘要

We conduct extensive research into the structures of BexZn1?xO ternary alloys in a pressure range of 0-60 GPa, using the ab initio total energy evolutionary algorithm and total energy calculations, finding several metastable structures.