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X-ray magnetic circular dichroism at the ${it K}$ edge of Mn$$_{3}$$GaC

Mn$$_{3}$$GaCのK端におけるX線磁気円二色性

高橋 学*; 五十嵐 潤一

Takahashi, Manabu*; Igarashi, Junichi

Mn$$_{3}$$GaC強磁性相のK端におけるX線磁気円二色性の起源を、第一原理計算に基づき研究した。LDAに基づき、スピン軌道相互作用を取り入れて、Mn及びGaのK端におけるスペクトルを計算し、実験とよく一致する結果を得た。スペクトルの構造のそれぞれに対応する過程を解析し、p状態の軌道分極の機構をはっきりさせた。また、総和則を導いた。

We theoretically investigate the origin of the X-ray magnetic circular dichroism (XMCD) spectra at the K edge of Mn and Ga in the ferromagnetic phase of Mn$$_{3}$$GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.

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パーセンタイル:72

分野:Materials Science, Multidisciplinary

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