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. 

Topics

Cite this paper

@article{Hu2004ConcentratedPD, title={Concentrated point defects in and order-disorder transition temperature of intermetallic compounds.}, author={Qiping Hu and Rong Yang and Y. L. Hao and Dong-Sheng Xu and D. Li}, journal={Physical review letters}, year={2004}, volume={92 18}, pages={185505} }