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wpq113
ÖÁ×ðľ³æ (ÖøÃûдÊÖ)
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IDS ºÅ: 414UE Electronic structure and magnetic properties of Co-doped CeO2: based on first principle calculation ¸ü¶àÑ¡Ïî ×÷Õß: Song YQ (Song, Y. Q.)1, Zhang HW (Zhang, H. W.)1, Yang QH (Yang, Q. H.)1, Liu YL (Liu, Y. L.)1, Li YX (Li, Y. X.)1, Shah LR (Shah, L. R.)2, Zhu H (Zhu, H.)2, Xiao JQ (Xiao, John Q.)2 À´Ô´³ö°æÎï: JOURNAL OF PHYSICS-CONDENSED MATTER ¾í: 21 ÆÚ: 12 ÎÄÏ×±àºÅ: 125504 ³ö°æÄê: MAR 25 2009 ±»ÒýƵ´Î: 1 ²Î¿¼ÎÄÏ×: 29 ÒýÖ¤¹ØÏµÍ¼ ÕªÒª: The electronic structure and magnetic properties of Co-doped CeO2 are theoretically investigated by first principles calculations based on the density functional theory + U (DFT + U) methods, using the WIEN2k package. With the presence of oxygen vacancies (VO) in CeO2, d and f orbits of Ce are obviously pulled closer to the Fermi level, but without spin polarization. On the other hand, in Co-doped CeO2, VO defects can lead to strong ferromagnetic coupling between the nearest neighboring Co ions. Such ferromagnetic exchange coupling is mainly attributed to spin splitting of Co 3d states, via electrons trapped in VO. The results provide direct evidence for the F-center mediated exchange interaction in oxide-based magnetic semiconductors. ÎÄÏ×ÀàÐÍ: Article ÓïÑÔ: English KeyWords Plus: SILICON; SI(111); CERIA ͨѶ×÷ÕßµØÖ·: Song, YQ (ͨѶ×÷Õß), Univ Elect Sci & Technol China, State Key Lab Elect Films & Integrated Devices, Chengdu 610054, Peoples R China µØÖ·: 1. Univ Elect Sci & Technol China, State Key Lab Elect Films & Integrated Devices, Chengdu 610054, Peoples R China 2. Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA µç×ÓÓʼþµØÖ·: yuanqiangsong@gmail.com »ù½ð×ÊÖúÖÂл: »ù½ð×ÊÖú»ú¹¹ ÊÚȨºÅ National Basic Research Program of China 2007CB31407 International S&T Cooperation Program of China 2006DFA53410 National Natural Science Foundation Innovation Group 60721001 [ÏÔʾ»ù½ð×ÊÖúÐÅÏ¢] This work was financially supported by the National Basic Research Program of China under Grant No. 2007CB31407, the International S&T Cooperation Program of China under Grant No. 2006DFA53410, and the National Natural Science Foundation Innovation Group under Grant no. 60721001. ³ö°æÉÌ: IOP PUBLISHING LTD, DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND ѧ¿ÆÀà±ð: Physics, Condensed Matter IDS ºÅ: 414UE ISSN: 0953-8984 DOI: 10.1088/0953-8984/21/12/125504 |
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wpq113
ÖÁ×ðľ³æ (ÖøÃûдÊÖ)
- LS-EPI: 11
- Ó¦Öú: 23 (СѧÉú)
- ½ð±Ò: 21945.8
- É¢½ð: 9
- ºì»¨: 6
- ɳ·¢: 2
- Ìû×Ó: 1985
- ÔÚÏß: 1714.4Сʱ
- ³æºÅ: 328579
- ×¢²á: 2007-03-21
- רҵ: ¼ÆËã»úÓ¦Óü¼Êõ
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0539sfs(½ð±Ò+4,VIP+0):·Ç³£¸Ðл£¡ 1-6 16:30
0539sfs(½ð±Ò+4,VIP+0):·Ç³£¸Ðл£¡ 1-6 16:30
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UT ISI:000263889900030 £¨±¾ÎÄsci¼ìË÷ºÅ£© IDS ºÅ: 414UE £¨ÆÚ¿¯sci¼ìË÷ºÅ) FN ISI Export Format VR 1.0 PT J AU Song, YQ Zhang, HW Yang, QH Liu, YL Li, YX Shah, LR Zhu, H Xiao, JQ AF Song, Y. Q. Zhang, H. W. Yang, Q. H. Liu, Y. L. Li, Y. X. Shah, L. R. Zhu, H. Xiao, John Q. TI Electronic structure and magnetic properties of Co-doped CeO2: based on first principle calculation SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID SILICON; SI(111); CERIA AB The electronic structure and magnetic properties of Co-doped CeO2 are theoretically investigated by first principles calculations based on the density functional theory + U (DFT + U) methods, using the WIEN2k package. With the presence of oxygen vacancies (VO) in CeO2, d and f orbits of Ce are obviously pulled closer to the Fermi level, but without spin polarization. On the other hand, in Co-doped CeO2, VO defects can lead to strong ferromagnetic coupling between the nearest neighboring Co ions. Such ferromagnetic exchange coupling is mainly attributed to spin splitting of Co 3d states, via electrons trapped in VO. The results provide direct evidence for the F-center mediated exchange interaction in oxide-based magnetic semiconductors. C1 [Song, Y. Q.; Zhang, H. W.; Yang, Q. H.; Liu, Y. L.; Li, Y. X.] Univ Elect Sci & Technol China, State Key Lab Elect Films & Integrated Devices, Chengdu 610054, Peoples R China. [Shah, L. R.; Zhu, H.; Xiao, John Q.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. RP Song, YQ, Univ Elect Sci & Technol China, State Key Lab Elect Films & Integrated Devices, Chengdu 610054, Peoples R China. EM yuanqiangsong@gmail.com FU National Basic Research Program of China [2007CB31407]; International S&T Cooperation Program of China [2006DFA53410]; National Natural Science Foundation Innovation Group [60721001] FX This work was financially supported by the National Basic Research Program of China under Grant No. 2007CB31407, the International S&T Cooperation Program of China under Grant No. 2006DFA53410, and the National Natural Science Foundation Innovation Group under Grant no. 60721001. NR 29 TC 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MATTER JI J. Phys.-Condes. Matter PD MAR 25 PY 2009 VL 21 IS 12 AR 125504 DI 10.1088/0953-8984/21/12/125504 PG 5 SC Physics, Condensed Matter GA 414UE UT ISI:000263889900030 ER -------------------------------------------------------------------------------- EF |
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