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Defects and magnetic structure of CuMnSb
- 1.0487467 - FZÚ 2018 RIV GB eng C - Conference Paper (international conference)
Máca, František - Kudrnovský, Josef - Drchal, Václav - Turek, I.
Defects and magnetic structure of CuMnSb.
Journal of Physics: Conference Series. Vol. 903. Bristol: IOP Publishing, 2017, s. 1-3, č. článku 012034. ISSN 1742-6588.
[Joint European Magnetic Symposia /8./, JEMS 2016. Glasgow (GB), 21.08.2016-26.08.2016]
R&D Projects: GA ČR GB14-37427G
Institutional support: RVO:68378271
Keywords : first-principles calculations * defects * CuMnSb
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Total energy calculations show that the antiferromagnetic (111) order is not the ground state for the ideal CuMnSb in contrast to the results of neutron diffraction experiments. The magnetic phases of the CuMnSb Heusler alloy were investigated with the aim to clarify the role of defects which exist in real samples (Mn-antisites on Cu, Mn-interstitials, and Cu-Mn swaps). The full-potential supercell approach and the Heisenberg model were used to find the magnetic structure of the CuMnSb with defects. Results of both types of calculations indicate that already low defect concentrations can promote the (111) antiferromagnetic structure.
Permanent Link: http://hdl.handle.net/11104/0282123
Number of the records: 1