Ab initioPhonons in Magnetic Ni2MnAl

Autor: Isaeva, Leyla, Bazhanov, Dmitry, Isaev, Eyvaz, Eriksson, Olle
Zdroj: Japanese Journal of Applied Physics; May 2011, Vol. 50 Issue: 5 p05FE07-05FE02
Abstrakt: In the present work we report the results of ab initiostudies of electronic and dynamic properties of nickel based Heusler alloy Ni2MnAl. The total magnetic moment and elastic constants were also evaluated and compared to experimental results where possible. We found that the phonon dispersion relations calculated in this work within the linear response method did not reveal any softening of the transversal acoustic mode TA2along $[\xi, \xi, 0]$ direction in accordance with the experiment and in controversy to previous theoretical studies.
Databáze: Supplemental Index