A subregular model for calculating the mixing enthalpies in 10 binary IIB-IIIB alloy systems

¹  College of Physics, Hunan University - Changsha, 410082, PRC
²  International Centre for Materials Physics, Chinese Academy of Sciences - Shenyang, 110015, PRC
³  Key Laboratory of Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University - Changsha, 410081, PRC
⁴  Department of Physics, Beijing University of Aeronautics & Astronautics - Beijing, 100083, PRC

Corresponding author: zhangbw@hnu.cn

Received: 9 November 2009
Accepted: 25 February 2010

Abstract

Up to now there existed no theoretical calculations of the mixing enthalpies for the group-B alloy systems using the famous Miedema's theory or by the theoretical methods of the first principle. Therefore such calculations for the 10 group–IIB-IIIB binary alloy systems are performed for the first time by a subregular model. The results show that the agreement between the experimental data and calculations is pretty good and could be accepted both from the theoretical viewpoint and from the experimental one. It also can be concluded from the results that the subregular model could be used for calculating the mixing enthalpies for the group-B alloys, at least for the IIB-IIIB alloy systems. The positive mixing enthalpies for all of the 10 alloy systems are discussed.