DMFT band calculation for Ce compounds

O. Sakai; Y. Shimizu

doi:10.1016/j.jmmm.2006.10.083

DMFT band calculation for Ce compounds

O. Sakai, Y. Shimizu

ENG - Applied Physics

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Recent development of DMFT band calculation for Ce compounds is reported. The auxiliary impurity Anderson model is solved by a method named NCAf² vc, which can include the correct exchange process of f¹ → f⁰, f² fluctuation and also the crystalline field (CF) and spin-orbit splitting of self-energy. These are necessary features in the quantitative band theory for Ce compounds. The results of application on CeSb and CeP are presented. The double peaks structure in the photoemission spectra of these compounds is reproduced by the non-empirical calculation. The magnetic excitation spectra are also calculated. It is shown that the CF splitting energy is reversed in CeSb when the temperature decreases.

Original language	English
Pages (from-to)	374-376
Number of pages	3
Journal	Journal of Magnetism and Magnetic Materials
Volume	310
Issue number	2 SUPPL. PART 1
DOIs	https://doi.org/10.1016/j.jmmm.2006.10.083
Publication status	Published - 2007 Mar

Keywords

Band calculation
Ce-pnictides
DMFT

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "Recent development of DMFT band calculation for Ce compounds is reported. The auxiliary impurity Anderson model is solved by a method named NCAf2 vc, which can include the correct exchange process of f1 → f0, f2 fluctuation and also the crystalline field (CF) and spin-orbit splitting of self-energy. These are necessary features in the quantitative band theory for Ce compounds. The results of application on CeSb and CeP are presented. The double peaks structure in the photoemission spectra of these compounds is reproduced by the non-empirical calculation. The magnetic excitation spectra are also calculated. It is shown that the CF splitting energy is reversed in CeSb when the temperature decreases.",

keywords = "Band calculation, Ce-pnictides, DMFT",

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AU - Sakai, O.

AU - Shimizu, Y.

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AB - Recent development of DMFT band calculation for Ce compounds is reported. The auxiliary impurity Anderson model is solved by a method named NCAf2 vc, which can include the correct exchange process of f1 → f0, f2 fluctuation and also the crystalline field (CF) and spin-orbit splitting of self-energy. These are necessary features in the quantitative band theory for Ce compounds. The results of application on CeSb and CeP are presented. The double peaks structure in the photoemission spectra of these compounds is reproduced by the non-empirical calculation. The magnetic excitation spectra are also calculated. It is shown that the CF splitting energy is reversed in CeSb when the temperature decreases.

KW - Band calculation

KW - Ce-pnictides

KW - DMFT

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