Physical properties of the tetragonal CuMnAs: A first-principles study
Result description
Physical properties of the antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure, promising for the AFM spintronics, are studied from first principles. First we investigate the structure parameters. Further the formation energies of possible defects for the experimentally prepared lattice structure are estimated. We find that the interactions of the growing thin film with the substrate as well as the electron correlations are important for the phase stability while the effect of defects is weak. We calculate transport properties for systems with defects of low formation energies and finally estimate the Neel temperature of the AFM-CuMnAs alloy using the Monte Carlo approach.n
Keywords
first-principles calculationsdefectsCuMnAstransport properties
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/00216208:11320/17:10367211
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Physical properties of the tetragonal CuMnAs: A first-principles study
Original language description
Physical properties of the antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure, promising for the AFM spintronics, are studied from first principles. First we investigate the structure parameters. Further the formation energies of possible defects for the experimentally prepared lattice structure are estimated. We find that the interactions of the growing thin film with the substrate as well as the electron correlations are important for the phase stability while the effect of defects is weak. We calculate transport properties for systems with defects of low formation energies and finally estimate the Neel temperature of the AFM-CuMnAs alloy using the Monte Carlo approach.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
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
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Volume of the periodical
96
Issue of the periodical within the volume
9
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
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UT code for WoS article
000409428500004
EID of the result in the Scopus database
2-s2.0-85029921289
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
2017