We perform self‐consistent linear muffin‐tin‐orbital local‐density‐approximation (LMTO‐LDA) electronic structure calculations for paramagnetic CeAg in the cubic phase to study the hybridization of the Ce f states which is found particularly effective with the Ce d and Ag p states. We also make self‐consistent calculations of the electronic structure of LaAg and use it as the f‐less analog of CeAg to determine quantitatively the localized part of the Ce 4f charge. The latter is identified with the average f‐occupation number nf of the Anderson model.

Localized behavior of f-electrons in CeAg: a theoretical study

MONACHESI, Patrizia;
1991

Abstract

We perform self‐consistent linear muffin‐tin‐orbital local‐density‐approximation (LMTO‐LDA) electronic structure calculations for paramagnetic CeAg in the cubic phase to study the hybridization of the Ce f states which is found particularly effective with the Ce d and Ag p states. We also make self‐consistent calculations of the electronic structure of LaAg and use it as the f‐less analog of CeAg to determine quantitatively the localized part of the Ce 4f charge. The latter is identified with the average f‐occupation number nf of the Anderson model.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11697/11644
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