Electronic structure and x-ray magnetic circular dichroism in the Mn₃CuN perovskite
The electronic and magnetic structures of Mn₃CuN are investigated theoretically from first principles using the fully relativistic Dirac LMTO band structure method. Mn₃CuN possesses a magnetic phase transition at TC = 143 K from a high temperature paramagnetic phase to a low temperature ferromagneti...
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| Datum: | 2014 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2014
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| Schriftenreihe: | Физика низких температур |
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| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/119539 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Electronic structure and x-ray magnetic circular dichroism in the Mn₃CuN perovskite / V.N. Antonov, L.V. Bekenov // Физика низких температур. — 2014. — Т. 40, № 7. — С. 825-834. — Бібліогр.: 66 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | The electronic and magnetic structures of Mn₃CuN are investigated theoretically from first principles using the fully relativistic Dirac LMTO band structure method. Mn₃CuN possesses a magnetic phase transition at TC = 143 K from a high temperature paramagnetic phase to a low temperature ferromagnetic one with a noncollinear magnetic structure. The transition is accompanied by a structural change from the cubic to the tetragonal lattice. In low temperature phase two Cu moments and two Mn moments (Mn₂ and Mn₃) ferromagnetically align along the c axis while other four Mn1 magnetic moments are canted from the c axis to [111] direction by angle Q= ±76.2. The x-ray absorption spectra and x-ray magnetic circular dichroism (XMCD) spectra of Mn₃CuN are investigated theoretically from first principles. The origin of the XMCD spectra in the Mn₃CuN compound is examined. The calculated results are compared with the experimental data. |
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