Ab initio calculations of the structural, electronic, thermodynamic and thermal properties of BaSe1-xTe x alloys

• Main Authors: Drablia, S., Boukhris, N., Boulechfar, R., Meradji, H., Ghemid, S., Ahmed, R., Omran, S., Hassan, F. E. H., Khenata, R.
• Format: Article
• Published: Institute of Physics Publishing 2017
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/id/eprint/77029/; https://www.scopus.com/inward/record.uri?eid=2-s2.0-85029855188&doi=10.1088%2f1402-4896%2faa842e&partnerID=40&md5=e310f9e74e19876c6107cf476eaa0091

The alkaline earth metal chalcogenides are being intensively investigated because of their advanced technological applications, for example in photoluminescent devices. In this study, the structural, electronic, thermodynamic and thermal properties of the BaSe1-xTe x alloys at alloying composition x...