Ab initio calculations of band structure of solid solutions of copper and silver chalcogenides

作者：Davletshina A D; Yakshibaev R A; Bikkulova N N^*; Stepanov Yu M; Bikkulova L V

来源：Solid State Ionics, 2014, 257: 29-31.

DOI：10.1016/j.ssi.2013.12.017

• Band structure
• Superionic conductor
• Phase transitions
• Copper and silver chalcogenides

The band structure of solid solutions of copper and silver chalcogenides AgCuX in high temperature cubic phase has been calculated using the software Quantum Espresso. These materials are shown to be gapless semiconductors.

• 出版日期2014-4-1