Binding Surfaces and Structural Phase Transformations

M. Schröter; E. Hoffmann; M.S. Yang; P. Entel; H. Akai; A. Altrogge

doi:doi:10.1051/jp4:1995838

Numéro		J. Phys. IV France Volume 05, Numéro C8, Décembre 1995 International Conference on Martensitic Transformations – ICOMAT 95


Page(s)		C8-273 - C8-278
DOI		https://doi.org/10.1051/jp4:1995838

International Conference on Martensitic Transformations
ICOMAT 95

J. Phys. IV France 05 (1995) C8-273-C8-278
DOI: 10.1051/jp4:1995838

Binding Surfaces and Structural Phase Transformations

M. Schröter¹, E. Hoffmann¹, M.S. Yang¹, P. Entel¹, H. Akai² and A. Altrogge¹

¹ Theoretische Tieftemperaturphysik, Gerhard-Mercator-Universität, Gesamthochschule Duiburg, 47048 Duisburg, Germany
² Department of Physics, Naura Medical University, Kashihara, Nara 634, Japan

Abstract
We have calculated binding surfaces for cla changes (along the Bain path) and changes of the atomic volume of metallic systems undergoing martensitic transformations. We find characteristic differences between the surfaces of nonmagnetic systems (with a close packed low temperature structure) and magnetic systems (with a less close packed low temperature structure). The ab initio calculations have been performed by using the augmented-spherical-wave method within the local-density approximation in the case of stoichiometrically ordered compounds and the Korringa-Kohn-Rostocker method together with the coherent-potential approximation in the case of disordered alloys.