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Spin-polaron format...
Spin-polaron formation and magnetic state diagram in La-doped CaMnO3
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- Bondarenko, N. (författare)
- Uppsala universitet,Materialteori
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- Kvashnin, Y. (författare)
- Uppsala universitet,Materialteori
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- Chico, J. (författare)
- Uppsala universitet,Materialteori
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- Bergman, A., 1978- (författare)
- Uppsala universitet,Materialteori
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- Eriksson, O., 1960- (författare)
- Uppsala universitet,Materialteori
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- Skorodumova, Natalia V. (författare)
- Uppsala universitet,KTH,Flerskalig materialmodellering,Uppsala Univ, Sweden,Materialteori
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(creator_code:org_t)
- American Physical Society, 2017
- 2017
- Engelska.
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Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 95:22
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- LaxCa1-xMnO3 (LCMO) has been studied in the framework of density functional theory (DFT) using Hubbard-U correction. We show that the formation of spin polarons of different configurations is possible in the G-type antiferromagnetic phase. We also show that the spin-polaron (SP) solutions are stabilized due to an interplay of magnetic and lattice effects at lower La concentrations and mostly due to the lattice contribution at larger concentrations. Our results indicate that the development of SPs is unfavorable in the C- and A-type antiferromagnetic phases. The theoretically obtained magnetic state diagram is in good agreement with previously reported experimental results.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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