Molecular simulation for thermoelectric properties of c-axis oriented hexagonal GeSbTe model clusters

• Main Authors: Athorn Vora-ud, Meena Rittiruam, Manish Kumar, Jeon Geon Han, Tosawat Seetawan
• Format: Journal
• Published: 2018
• Subjects: Engineering; Materials Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84947765594&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55764
• Institution: Chiang Mai University

© 2015 Elsevier Ltd. Using a combination of molecular orbital and molecular dynamics simulations, electronic and thermoelectric properties of GeSbTe model clusters are presented. The unit cells of Ge13Sb20Te52, Ge7Sb12Te40and Ge14Sb6Te26model clusters are designed corresponding to GeSb2Te4, GeSb4Te7...