Solid State Ionics, Vol.257, 29-31, 2014
Ab initio calculations of band structure of solid solutions of 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. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved.