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Molecules ; 25(18)2020 Sep 20.
Artículo en Inglés | MEDLINE | ID: mdl-32962303

RESUMEN

We have studied, both experimentally and theoretically, the unusual temperature dependence of the phonon spectra in NdCoO3, SmCoO3 and GdCoO3, where the Co3+ ion is in the low-spin (LS) ground state, and at the finite temperature, the high-spin (HS) term has a nonzero concentration nHS due to multiplicity fluctuations. We measured the absorption spectra in polycrystalline and nanostructured samples in the temperature range 3-550 K and found a quite strong breathing mode softening that cannot be explained by standard lattice anharmonicity. We showed that the anharmonicity in the electron-phonon interaction is responsible for this red shift proportional to the nHS concentration.


Asunto(s)
Metales de Tierras Raras/química , Minerales/química , Nanoestructuras/química , Cristalización , Electrones , Modelos Moleculares , Conformación Molecular , Fonones , Teoría Cuántica , Temperatura
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