Tetragonal CuMnAs alloy: role of defects

0521294 - FZÚ 2020 RIV NL eng J - Článek v odborném periodiku
Máca, František - Kudrnovský, Josef - Baláž, P. - Drchal, Václav - Carva, K. - Turek, I.
Tetragonal CuMnAs alloy: role of defects.
Journal of Magnetism and Magnetic Materials. Roč. 474, Mar (2019), s. 467-471. ISSN 0304-8853. E-ISSN 1873-4766
Grant CEP: GA ČR GB14-37427G
Institucionální podpora: RVO:68378271
Klíčová slova: antiferromagnetics * defects * transport * ab initio calculations * Monte Carlo simulations
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 2.717, rok: 2019
Způsob publikování: Omezený přístup
https://doi.org/10.1016/j.jmmm.2018.10.145

The antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure is a promising material for the AFM spintronics. The resistivity measurements indicate the presence of defects. We confirmed vacancies on Mn or Cu sublattices and MnCu and CuMn antisites as most probable defects in CuMnAs by our new ab initio total energy calculations. We have estimated resistivities of possible defect types as well as resistivities of samples for which the X-ray structural analysis is available. In the latter case we have found that samples with Cu- and Mn-vacancies with low formation energies have also resistivities which agree well with the experiment. Finally, we have also calculated exchange interactions and estimated the Néel temperatures by using the Monte Carlo approach. A good agreement with experiment was obtained.

Trvalý link: http://hdl.handle.net/11104/0305925