Ferromagnetic insulating state in tensile-strained LaCo0<subscript>3</subscript> thin films from LDA + U calculations.
In: Physical Review B: Condensed Matter & Materials Physics, Jg. 85 (2012-04-08), Heft 14, S. 1-5
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Zugriff:
With local density approximation+Hubbard U (LDA+U) calculations, we show that the ferromagnetic (FM) insulating state observed in tensile-strained LaCoO3 epitaxial thin films is most likely a mixture of low-spin (LS) and high-spin (HS) Co, namely, a HS/LS mixture state. Compared with other FM states, including the intermediate-spin (IS) state (metallic within LDA + U), which consists of IS Co only, and the insulating IS/LS mixture state, the HS/LS state is the most favorable one. The FM order in the HS/LS state is stabilized via the superexchange interactions between adjacent LS and HS Co. We also show that the Co spin state can be identified by measuring the electric field gradient at the Co nucleus via nuclear magnetic resonance spectroscopy. [ABSTRACT FROM AUTHOR]
Titel: |
Ferromagnetic insulating state in tensile-strained LaCo0<subscript>3</subscript> thin films from LDA + U calculations.
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Autor/in / Beteiligte Person: | Hsu, Han ; Blaha, Peter ; Wentzcovitch, Renata M. |
Zeitschrift: | Physical Review B: Condensed Matter & Materials Physics, Jg. 85 (2012-04-08), Heft 14, S. 1-5 |
Veröffentlichung: | 2012 |
Medientyp: | academicJournal |
ISSN: | 1098-0121 (print) |
DOI: | 10.1103/PhysRevB.85.140404 |
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