Published in

American Institute of Physics, Applied Physics Letters, 24(94), p. 242502

DOI: 10.1063/1.3156811

Links

Tools

Export citation

Search in Google Scholar

A first principles study on the full-Heusler compound Cr2MnAl

Journal article published in 2009 by Jia Li, Yangxian Li, Guoxiang Zhou, Yubao Sun, Chang Q. Sun ORCID
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Orange circle
Published version: archiving restricted
Data provided by SHERPA/RoMEO

Abstract

The Hg2CuTi-type structure is found to be preferable energy wise than the Cu2MnAl-type structure for full-Heusler Cr2MnAl and exhibits half-metallic ferromagnetism based on first principles. The calculations for the mixed compounds with disorder between B and D sublattices reveal that the case of exchanging one atom maintains the half-metallicity while the case of exchanging two atoms loses it. The electronic structures of the atoms at sites A or C are affected mainly by the nearest-neighboring coordination while that of the atoms at site B are determined by the next-nearest-neighboring coordination.