Tetragonal CuMnAs alloy: role of defects
Result description
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.n
Keywords
antiferromagneticsdefectstransportab initio calculationsMonte Carlo simulations
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/00216208:11320/19:10398942
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Tetragonal CuMnAs alloy: role of defects
Original language description
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.n
Czech name
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Czech description
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Classification
Type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Magnetism and Magnetic Materials
ISSN
0304-8853
e-ISSN
—
Volume of the periodical
474
Issue of the periodical within the volume
Mar
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
5
Pages from-to
467-471
UT code for WoS article
000459494600068
EID of the result in the Scopus database
2-s2.0-85056670881
Basic information
Result type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
OECD FORD
Condensed matter physics (including formerly solid state physics, supercond.)
Year of implementation
2019