Electronic structure of s,p- and 3d-element impurities in ferromagnetic Fe
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概要
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Using the self-consistent tight-binding-linear-muffin-tin-orbital (TB-LMTO) recursion method, we have investigated the rearrangement of electronic structures with the addition of both s,p-element (Al, Si, and P) and 3d-element impurities in bcc ferromagnetic Fe. We have obtained local density of states (LDOS), charge transfers, and magnetic moments. In the case of s,p-element impurities, we have found that the s-level LDOS at the impurity site has a dip in the vicinity of the bare d-level of the host, which is related to the Fano anti-resonance. We have also found that the simple dilution model for the impurity works well for Al, Si, and P impurity in Fe. As for transition metal (TM) impurities, we have found that early TM impurities (Ti-Cr) favor antiferromagnetic arrangements with respect to the host Fe spins, while late TM impurities (Mn-Ni) favor ferromagnetic arrangements.
- 社団法人日本磁気学会の論文
- 1999-01-20
著者
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朴 載赫
豊橋技科大
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Park J
豊橋技科大
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Park J.
Department Of Conservative Dentistry College Of Dentistry Yonsei University
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Min B.
Department Physics, Pohang University of Science and Technology
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Park J.
Department Of Aerospace Engineering Korea Advanced Institute Of Science And Technology (kaist)
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Min B.I.
Department of Physics, Pohang University of Science and Technology
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Min B.
Department Of Pohang University Of Science And Thechnology
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Park J.H.
Department of Metallurgical Engineering, Sung-Kyun-Kwan University
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