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ÆÚ¿¯¾í²á£ºJ. Phys.: Condens. Matter 21 (2009) 125504
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Electronic structure and magnetic properties of Co-doped CeO2: based on first principle calculation
  
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×÷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   
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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
2Â¥2010-01-06 15:18:03
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0539sfs(½ð±Ò+4,VIP+0):·Ç³£¸Ðл£¡ 1-6 16:30
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  

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