Volja, D., Kozinsky, B., Li, A., Wee, D., Marzari, N. and Fornari, M. Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites. Physical Review B. 85, 245211, 2012. doi:10.1103/PhysRevB.85.245211 Abstract First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen-substituted ternary skutterudites. W..
Wee, D., Kozinsky, B., Pavan, B., and Fornari, M. Quasiharmonic vibrational properties of TiNiSn from ab initio phonons. Journal of Electronic Materials. 2012, Volume 41, Number 6, Pages 977-983. doi:10.1007/s11664-011-1833-4 Abstract We report an ab initio study of vibrational and thermodynamic properties of TiNiSn, a half-Heusler alloy that has been investigated in the context of thermoelectri..
Miyoung Yoo and Aram Choi Department of Enviromental Science and Engineering Ewha Womans University The study was carried out for educational purposes only, and the result may not be scientifically accurate.