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Issue ESOMAT 2009
2009
Article Number 02017
Number of page(s) 5
Section Principles, Simulations, Materials: Background
DOI http://dx.doi.org/10.1051/esomat/200902017
Published online 01 September 2009

ESOMAT 2009, 02017 (2009)
DOI: 10.1051/esomat/200902017

The influence of defects and composition on the electronic structure and magnetic properties of shape memory Heusler alloys

S. Kulkova1, S. Eremeev1, Q.M. Hu2, C.M. Li2 and R. Yang2

1  Institute of Strength Physics and Materials Science SB RAS, 634021Tomsk, Russia
2  Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016 Shenyang, China

kulkova@ms.tsc.ru

Published online: 1 September 2009

Abstract
The electronic structure and magnetic properties in the Ni2MnZ series, where Z=Al, Ga, In, Sn, Sb, are studied using the first first-principles methods within density functional theory. The formation energies of several kinds of defects (atomic swaps, antisites. vacancies) are estimated. It is shown that Ni-antisites on the Mn sublattice have the lowest formation energy in the investigated series.

Note to the reader:
On page 02017-p2 several mistakes have been corrected on October 19, 2009.



© Owned by the authors, published by EDP Sciences 2009


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