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- 저자 : H. Katayama-Yoshida (검색결과 2 건)
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Computational Nano-Materials Design for II-VI Compound Semiconductor-Based Spintronics
H. Katayama-Yoshida,K. Sato,T. Fukushima,M. Toyoda,H. Kizaki,Van An Dinh,P. H. Dederichs 한국물리학회 2008 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.53 No.1
Based on the state-of-the-art ab-initio electronic structure calculation by using the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) method with the local density approximation (LDA) and self-interaction corrected LDA (SIC-LDA) to go beyond the LDA, we propose a unified physical picture of 3d transition-metal-doped dilute-magnetic-semiconductors (DMS) in II-VI compound semiconductors, such as ZnO, ZnS, ZnSe and ZnTe. Zener's double-exchange interaction and super-exchange interaction mechanisms are competing in the magnetism of II-VI DMS. In a homogeneous system, the electronic structure calculated by using the SIC-LDA and the Curie temperature (TC) in a Monte Carlo simulation with the LDA is in good agreement with the experimental data of photoemission spectroscopy and the experimental value of TC. In a inhomogeneous system, we propose the three-dimensional Dairiseki phase and the one-dimensional Konbu phasecaused by spinodal nano-decomposition. These are responsible for the high-TC (or TB) phases in the DMS. We design the growth position and control the shape of nano-magnets by using self-organization. Based on the state-of-the-art ab-initio electronic structure calculation by using the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) method with the local density approximation (LDA) and self-interaction corrected LDA (SIC-LDA) to go beyond the LDA, we propose a unified physical picture of 3d transition-metal-doped dilute-magnetic-semiconductors (DMS) in II-VI compound semiconductors, such as ZnO, ZnS, ZnSe and ZnTe. Zener's double-exchange interaction and super-exchange interaction mechanisms are competing in the magnetism of II-VI DMS. In a homogeneous system, the electronic structure calculated by using the SIC-LDA and the Curie temperature (TC) in a Monte Carlo simulation with the LDA is in good agreement with the experimental data of photoemission spectroscopy and the experimental value of TC. In a inhomogeneous system, we propose the three-dimensional Dairiseki phase and the one-dimensional Konbu phasecaused by spinodal nano-decomposition. These are responsible for the high-TC (or TB) phases in the DMS. We design the growth position and control the shape of nano-magnets by using self-organization.
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Yun Hee Chang,Chul Hong Park,H. Katayama-Yoshida,K. Sato 한국물리학회 2006 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.49 No.1
Through first-principles Korringa-Kohn-Rostoker calculations combined with the coherent potential approximation, the short-range antiferromagnetic superexchange interaction between closely located Mn ions at the nearest cation sites in the (Ga1.x,Mnx)V (V = N, P, As and Sb) dilute magnetic semiconductors (DMS) is investigated. The calculated interaction is especially strong in (Ga,Mn)N and (Ga,Mn)P; thus, we suggest that it can be an important factor in preventing the room-temperature ferromagnetism of (Ga,Mn)N when the Mn concentration is high.
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