2001 Fiscal Year Annual Research Report

第一原理計算による遷移金属ZnO系透明強磁性体の物質設計

Research Project

Project/Area Number	12440089
Research Institution	Osaka University
Principal Investigator	吉田博大阪大学, 産業科学研究所, 教授 (30133929)
Co-Investigator(Kenkyū-buntansha)	白井光雲大阪大学, 産業科学研究所, 助手 (60178647) 播磨尚朝大阪大学, 産業科学研究所, 助教授 (50211496)
Keywords	透明強磁性半導体 / マテリアルデザイン / 第一原理計算 / スピングラス / スピンFET / ハーフメタル / 磁性半導体 / ZnO
Research Abstract	第一原理電子状態計算により、ZnOに遷移金属(Ti, V, Cr, Mn, Fe, Co, Ni, Cu)を高濃度にドープして、可視光を通して透明であり、しかもハーフメタル強磁性体状態が安定な新物質を実現するためのマテリアルデザインをおこなった。Ti, V, Cr, Fe, Co, Niで強磁性ハーフメタルとなることを示した。これにより100%スピン分極する事が示され、スピン注入やトンネル電流による大きな比抵抗(磁気抵抗比)を用いたTMRデバイスヘの応用が可能になる。Ti, V, Crでは上向きスピンがメタリックで下向きスピンが半導体的、一方、Fe, Co, Niでは逆に上向きスピンが半導体的で、下向きスピンがメタリックとなることを明らかにした。Mnはスピングラス状態が安定であるが、ホールドープにより、強磁性状態が安定化する。また、ZnOの中のV, Cr, Mn, Fe, Co, Niについて強磁性状態のアクセプター及びドナー濃度依存性を計算し、V, Crではホールドープにより強磁性状態が安定化し、一方、Fe, Co, Niでは電子ドープにより強磁性がより安定化することを発見した。またFe, Co, Niはn型の強磁性半導体となり、一方Crはp型、Vはn型となり、これらを組み合わせてp-i-nスピン整流ダイオードや、光誘起強磁性体、スピンFETのデバイスデザインを行なった。

Research Products

(19 results)

All Other

All Publications (19 results)

[Publications] K.Sato, H.KaTayama-Yoshida: "Stabilization of Ferromagnetic States by Electron Doping in Fe-, Co-or Ni-Doped ZnO"Jpn.J.Appl.Phys.. 40. L334-L336 (2001)
[Publications] H.Katayama-Yoshida, T.Nishimatsu, T.Yamamoto, N.Orita: "Codoping Method for the Fabrication of Low-resistiitly Wide Band-gap Semiconductors in p-type GaN, p-type AIN and n-type Diamond : Prediction vs. Experiment"J.Physics Condens.Matter. 13. 8901-8914 (2001)
[Publications] K.Sato, H.Katayama-Yoshida: "Material Design of GaN-based Ferromagnetic Diluted Magnetic Semiconductors"Jpn.J.Appl.Phys.. 40. L485-L487 (2001)
[Publications] H.Katayama-Yoshida, R.Kato, T.Yamamoto: "New Valence Control and Spin Control Method in GaN and AIN by Codoping and Transition Atom Doping"J.Crystal Growth. 231. 428-436 (2001)
[Publications] K.Sato, H.Katayama-Yoshida: "Hyperfine Interactions and Magnetism of 3d Transition-Metal-Impurities in II-VI and III-V Compound-Based Diluted Magnetic Semiconductors"(Hyperfine Interactions) at HFI-12 (USA). (in press).
[Publications] K.Sato, H.Katayama-Yoshida: "Ferromagnetism in a transition metal atom doped ZnO"Physica E. 10. 251-255 (2001)
[Publications] T.Yamamoto, H.Kaytayama-Yoshida: "Physics and control of valence states in ZnO by codoping method"Physica B. 302-303. 155-162 (2001)
[Publications] K.Matsushita, H.Harima, A.Yanase, H.Katayama-Yoshida: "Prediction of ferromagnetic (Zn, Mn)Se superlattice"Physica E. 10. 247-250 (2001)
[Publications] T.Kawasaki, H.Katayama-Yoshida: "Valence control method of co-doping for the fabrication of metallic silicon from the first-principles calculation"Physica B. 302-303. 163-165 (2001)
[Publications] T.Nishimatsu, H.Katayama-Yoshida, N.Orita: "Theoretical study of hydrogen-related complexes in diamond for low-resistive n-type diamond semiconductor"Physica B. 302-303. 149-154 (2001)
[Publications] K.Sato, H.Katayama-Yoshida: "Materials Design of Transparent and Half-Metallic Ferromagnets in V-or Cr-doped ZnS, ZnSe and ZnTe without P-or N-type Doping Treatment"Jpn.J.Appl.Phys.. 40. L651-L653 (2001)
[Publications] K.Sato, H.Katayama-Yoshida: "Theoretical prediction for transparent ferromagnets with transition metal atom doped ZnO"Proc.25^<th> Int.Conf.Phys.Semioond.,Osaka 2000 (Springer Proceedings in Physics, 87, Eds.N.Miura and T.Ando). 236-237 (2001)
[Publications] K.Matsushita, H.Harima, A.Yanase, H.Katayama-Yoshida: "Electronic Structure and Magnetic Properties of (Zn, Mn)Se With Carrier Doping Studied by FLAPW Method"Proc.25^<th> Int.Conf.Phys.Semioond.,Osaka 2000 (Springer Proceedings in Physics, 87, Eds.N.Miura and T.Ando). 264-265 (2001)
[Publications] T.Yamamoto, H.Katayama-Yoshida: "Materials design for the fabrication of p-type ZnO by codoping method"Proc.25^<th> Int.Conf.Phys.Semioond. Osaka 2000(Springier Proceedings in Physics, 87, Eds. N.Miura and T.Ando). 1409-1410 (2001)
[Publications] K.Sato, H.Katayama-Yoshida: "Materials and device design with ZnO-based diluted magnetic semiconductors"Mat.Res.Soc.Symp.Proc.. Vol.666. F4.6.1-F4.6.10 (2001)
[Publications] K.Sato, H.Katayma-Yoshida: "Ab intio study on the magnetism in ZnO-, ZnS-, ZnSe-, and ZnTe-based diluted magnetic semiconductors"Phys.sat.sol.(b). (in press). (2002)
[Publications] K.Sato, H.Katayma-Yoshida, H.Akai: "Stabilization mechanism of ferromagnetic state in Mn-doped III-V diluted magnetic semiconductors"(in press).
[Publications] 佐藤和則, 吉田博: "解説:第一原理計算による新機能希薄磁性半導体のマテリアルデザイン"固体物理. 36. 377-390 (2001)
[Publications] 吉田博, 佐藤和則, 山本哲也: "第一原理計算による新機能性半導体のマテリアルデザイン-予言と実験の比較-"応用物理学会誌. Vol.70 No.8. 969-975 (2001)

2001 Fiscal Year Annual Research Report

第一原理計算による遷移金属ZnO系透明強磁性体の物質設計

Principal Investigator

吉田 博 大阪大学, 産業科学研究所, 教授 (30133929)

Research Products

[Publications] K.Sato, H.KaTayama-Yoshida: "Stabilization of Ferromagnetic States by Electron Doping in Fe-, Co-or Ni-Doped ZnO"Jpn.J.Appl.Phys.. 40. L334-L336 (2001)

[Publications] H.Katayama-Yoshida, T.Nishimatsu, T.Yamamoto, N.Orita: "Codoping Method for the Fabrication of Low-resistiitly Wide Band-gap Semiconductors in p-type GaN, p-type AIN and n-type Diamond : Prediction vs. Experiment"J.Physics Condens.Matter. 13. 8901-8914 (2001)

[Publications] K.Sato, H.Katayama-Yoshida: "Material Design of GaN-based Ferromagnetic Diluted Magnetic Semiconductors"Jpn.J.Appl.Phys.. 40. L485-L487 (2001)

[Publications] H.Katayama-Yoshida, R.Kato, T.Yamamoto: "New Valence Control and Spin Control Method in GaN and AIN by Codoping and Transition Atom Doping"J.Crystal Growth. 231. 428-436 (2001)

[Publications] K.Sato, H.Katayama-Yoshida: "Hyperfine Interactions and Magnetism of 3d Transition-Metal-Impurities in II-VI and III-V Compound-Based Diluted Magnetic Semiconductors"(Hyperfine Interactions) at HFI-12 (USA). (in press).

[Publications] K.Sato, H.Katayama-Yoshida: "Ferromagnetism in a transition metal atom doped ZnO"Physica E. 10. 251-255 (2001)

[Publications] T.Yamamoto, H.Kaytayama-Yoshida: "Physics and control of valence states in ZnO by codoping method"Physica B. 302-303. 155-162 (2001)

[Publications] K.Matsushita, H.Harima, A.Yanase, H.Katayama-Yoshida: "Prediction of ferromagnetic (Zn, Mn)Se superlattice"Physica E. 10. 247-250 (2001)

[Publications] T.Kawasaki, H.Katayama-Yoshida: "Valence control method of co-doping for the fabrication of metallic silicon from the first-principles calculation"Physica B. 302-303. 163-165 (2001)

[Publications] T.Nishimatsu, H.Katayama-Yoshida, N.Orita: "Theoretical study of hydrogen-related complexes in diamond for low-resistive n-type diamond semiconductor"Physica B. 302-303. 149-154 (2001)

[Publications] K.Sato, H.Katayama-Yoshida: "Materials Design of Transparent and Half-Metallic Ferromagnets in V-or Cr-doped ZnS, ZnSe and ZnTe without P-or N-type Doping Treatment"Jpn.J.Appl.Phys.. 40. L651-L653 (2001)

[Publications] K.Sato, H.Katayama-Yoshida: "Theoretical prediction for transparent ferromagnets with transition metal atom doped ZnO"Proc.25^<th> Int.Conf.Phys.Semioond.,Osaka 2000 (Springer Proceedings in Physics, 87, Eds.N.Miura and T.Ando). 236-237 (2001)

[Publications] K.Matsushita, H.Harima, A.Yanase, H.Katayama-Yoshida: "Electronic Structure and Magnetic Properties of (Zn, Mn)Se With Carrier Doping Studied by FLAPW Method"Proc.25^<th> Int.Conf.Phys.Semioond.,Osaka 2000 (Springer Proceedings in Physics, 87, Eds.N.Miura and T.Ando). 264-265 (2001)

[Publications] T.Yamamoto, H.Katayama-Yoshida: "Materials design for the fabrication of p-type ZnO by codoping method"Proc.25^<th> Int.Conf.Phys.Semioond. Osaka 2000(Springier Proceedings in Physics, 87, Eds. N.Miura and T.Ando). 1409-1410 (2001)

[Publications] K.Sato, H.Katayama-Yoshida: "Materials and device design with ZnO-based diluted magnetic semiconductors"Mat.Res.Soc.Symp.Proc.. Vol.666. F4.6.1-F4.6.10 (2001)

[Publications] K.Sato, H.Katayma-Yoshida: "Ab intio study on the magnetism in ZnO-, ZnS-, ZnSe-, and ZnTe-based diluted magnetic semiconductors"Phys.sat.sol.(b). (in press). (2002)

[Publications] K.Sato, H.Katayma-Yoshida, H.Akai: "Stabilization mechanism of ferromagnetic state in Mn-doped III-V diluted magnetic semiconductors"(in press).

[Publications] 佐藤和則, 吉田博: "解説:第一原理計算による新機能希薄磁性半導体のマテリアルデザイン"固体物理. 36. 377-390 (2001)

[Publications] 吉田博, 佐藤和則, 山本哲也: "第一原理計算による新機能性半導体のマテリアルデザイン-予言と実験の比較-"応用物理学会誌. Vol.70 No.8. 969-975 (2001)

吉田博大阪大学, 産業科学研究所, 教授 (30133929)