title: Concentrated point defects in and order-disorder transition temperature of intermetallic compounds.
abstract: In this Letter, a scheme that combines first-principles methods, statistical mechanics, and a self-consistent procedure is presented to evaluate the point defect concentrations in intermetallic compounds. The obtained point defect concentrations can be further used to predict the order-disorder transformation temperature.
authors.affiliation: Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, China. qmhu@imr.ac.cn
authors.forename: Q M
authors.initials: QM
authors.lastname: Hu
authors.forename: R
authors.initials: R
authors.lastname: Yang
authors.forename: Y L
authors.initials: YL
authors.lastname: Hao
authors.forename: D S
authors.initials: DS
authors.lastname: Xu
authors.forename: D
authors.initials: D
authors.lastname: Li