Novel Superconducting Electrides in Ca–S System under High Pressures

• 作者: Yun-Xian Liu Chao Wang Shuai Han Xin Chen Hai-Rui Sun Xiao-Bing Liu
• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2021,（3）
• 所属期刊栏目: CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES
• 页码范围: 69-74,中插18-中插27
• 页数: 1页
• 语种: 英文
• DOI: 10.1088/0256-307X/38/3/036201

摘要

Due to their unique structure properties, most of the electrides that possess extra electrons locating in interstitial regions as anions are insulators. Metallic and superconducting electrides are very rare under ambient conditions. We systematically search possible compounds in Ca–S systems stabilized under various pressures up to 200 GPa, and investigate their crystal structures and properties using first-principles calculations.