Open Access
| Issue |
ESOMAT 2009
2009
|
|
|---|---|---|
| Article Number | 02017 | |
| Number of page(s) | 5 | |
| Section | Principles, Simulations, Materials: Background | |
| DOI | https://doi.org/10.1051/esomat/200902017 | |
| Published online | 01 September 2009 | |
ESOMAT 2009, 02017 (2009)
DOI: 10.1051/esomat/200902017
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
© Owned by the authors, published by EDP Sciences 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. Yang21 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