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• W2078780003 abstract "With a series of local-density approximation plus Hubbard $U$ calculations, we have demonstrated that for lanthanum cobaltite $({text{LaCoO}}_{3})$, the electric field gradient at the cobalt nucleus can be used as a fingerprint to identify the spin state of the cobalt ion. Therefore, in principle, the spin state of the cobalt ion can be unambiguously determined from nuclear magnetic resonance spectra. Our calculations also suggest that a crossover from the low-spin to intermediate-spin state in the temperature range of 0--90 K is unlikely, based on the half-metallic band structure associated with isolated IS Co ions, which is incompatible with the measured conductivity." @default.
• W2078780003 created "2016-06-24" @default.
• W2078780003 creator A5020910604 @default.
• W2078780003 creator A5035775791 @default.
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• W2078780003 date "2010-09-09" @default.
• W2078780003 modified "2023-10-06" @default.
• W2078780003 title "Cobalt spin states and hyperfine interactions in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>LaCoO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>investigated by<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mtext>LDA</mml:mtext><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>calculations" @default.
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• W2078780003 doi "https://doi.org/10.1103/physrevb.82.100406" @default.
• W2078780003 hasPublicationYear "2010" @default.
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