強磁性規則合金中の非磁性元素におけるMCDスペクトルの第一原理計算

元データ 2001-04-15 社団法人日本磁気学会

概要

We calculated the x-ray absorption (XA) spectra and magnetic circular dichroism (MCD) spectra of nonmagnetic elements in ferromagnetic orderd alloys (Pd 3p in Pd_3Fe, Sb 3d in NiMnSb, and S 2p in CoS_2) by the first-principles LMTO-ASA method in the framework of local spin density approximation (LSDA). The calculated spectra for Pd_3Fe and NiMnSb are in good agreement with experimental results. The origin of the large satellite peaks of Pd 3p XA spectrum in Pd_3Fe was found to be the transition from core 3p state to s-d hybridized band states above the Fermi level. The calculated results of XA and MCD spectra for CoS_2 were not satisfactory as the calculated Kerr spectra. The reason seems to be the deficient description of band states by LSDA due to its strong electronic correlation effects.

著者

山口 正剛 日本原子力研究所 計算科学技術推進センター
浅野 攝郎 東京大学大学院 総合文化研究科
Asano Setsuro The Graduate School Of/college Of Arts And Sciences The University Of Tokyo
浅野 攝郎 東大総合文化
山口 正剛 日本原子力機構

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