La及びCeカルコゲナイドの半相対論的APW法によるバンド計算と光吸収スペクトル

概要

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This paper presents the theoretical study of the diagonal optical conductivity of La- and Ce- monochalcogenides, as one step to study the magneto-optical Kerr effects at these materials. The optical conductivity σ_1(ω) relating to the absorption spectra was computed using the electronic states obtained from the band calculation, in which the semi-relativistic APW method was adopted. Furthermore, in the band calculations we carried out the two kinds of calculations, one of which is due to frozen core approximation, and the other the non-frozen core approximation. The calculated band structures and optical conductivities are compared with the experimental results.
秋田工業高等専門学校の論文
2003-02-28