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dc.contributor.authorMáca, František
dc.contributor.authorKudrnovský, Josef
dc.contributor.authorBaláž, Pavel
dc.contributor.authorDrchal, Václav
dc.contributor.authorCarva, Karel
dc.contributor.authorTurek, Ilja
dc.date.accessioned2019-04-16T08:12:04Z
dc.date.available2019-04-16T08:12:04Z
dc.date.issued2019
dc.identifier.citationJournal of Magnetism and Magnetic Materials. 2019, vol. 474, p. 467-471.cs
dc.identifier.issn0304-8853
dc.identifier.issn1873-4766
dc.identifier.urihttp://hdl.handle.net/10084/134652
dc.description.abstractThe 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 Cum 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 Neel temperatures by using the Monte Carlo approach. A good agreement with experiment was obtained.cs
dc.language.isoencs
dc.publisherElseviercs
dc.relation.ispartofseriesJournal of Magnetism and Magnetic Materialscs
dc.relation.urihttp://doi.org/10.1016/j.jmmm.2018.10.145cs
dc.rights© 2018 Elsevier B.V. All rights reserved.cs
dc.subjectantiferromagneticscs
dc.subjectdefectscs
dc.subjecttransportcs
dc.subjectab initio calculationscs
dc.subjectMonte Carlo simulationscs
dc.titleTetragonal CuMnAs alloy: Role of defectscs
dc.typearticlecs
dc.identifier.doi10.1016/j.jmmm.2018.10.145
dc.type.statusPeer-reviewedcs
dc.description.sourceWeb of Sciencecs
dc.description.volume474cs
dc.description.lastpage471cs
dc.description.firstpage467cs
dc.identifier.wos000459494600068


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