Magnetic properties of rutile TiO2-1/6 from first-principles calculations

Physica Status Solidi - Rapid Research Letters

Volumn 4, Issue 8-9, 2010, Pages 236-238

  Han, Guang Bing ^a   Hu, Shu Jun ^a   Yan, Shi Shen ^a   Kang, Shi Shou ^a   Mei, Liang Mo ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Ab initio theory; Magnetic properties; Material structure; Semiconductors; Structural defects

Indexed keywords

AB INITIO THEORY; DONOR IMPURITY STATE; F CENTERS; FERROMAGNETIC COUPLING; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FUNCTIONAL CALCULATIONS; LARGE DISPLACEMENTS; LDA + U; MATERIAL STRUCTURE; OXYGEN DEFICIENCY; RUTILE TIO; SEMICONDUCTORS; STRUCTURAL DEFECT; SUPEREXCHANGE INTERACTION; TI ATOMS; TUNABLE PARAMETER;

DEFECTS; FERROMAGNETIC MATERIALS; FERROMAGNETISM; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; POSITIVE IONS; SEMICONDUCTOR QUANTUM WELLS;

STRUCTURAL PROPERTIES;

EID: 77957072269     PISSN: 18626254     EISSN: 18626270     Source Type: Journal    
DOI: 10.1002/pssr.201004262     Document Type: Article

References (35)

1. H. Ohno, Science 281, 951 (1998).
2. T. Dietl et al., Science 287, 1019 (2000).
3. Y. Matsumoto et al., Science 291, 854 (2001).
4. H. Peng et al., J. Phys.: Condens. Matter 20, 125207 (2008).
5. N. H. Hong et al., Phys. Rev. B 73, 132404 (2006).
6. Abdul K. Rumaiz et al., Solid State Commun. 144, 334 (2007).
7. S. Zhou et al., Phys. Rev. B 79, 113201 (2009).
8. A. Hassini et al., Phys. Lett. A 372, 3299-3302 (2008).
9. X. Zuo et al., J. Appl. Phys. 103, 07B911 (2008).
10. G. B. Han et al., Phys. Status Solidi (RRL) 3, 148 (2009).
11. H. Peng et al., Phys. Rev. B 79, 092411 (2009).
12. L. A. Errico et al., Phys. Rev. B 72, 184425 (2005).
13. S. Duhalde et al., Phys. Rev. B 72, 161313(R) (2005).
14. M. Weissmann et al., Physica B 398, 179 (2007).
15. S. Baroni et al., http://www.pwscf.org/.
16. M. Cococcioni et al., Phys. Rev. B 71, 035105 (2005).
17. K. Okada et al., J. Phys. Soc. Jpn. 63, 3176 (1994).
18. A. E. Bocquet et al., Phys. Rev. B 53, 1161 (1996).
19. J. K. Burdett et al., J. Am. Chem. Soc. 109, 3639 (1987).
20. K. M. Glassford et al., Phys. Rev. B 46, 1284 (1992).
21. C. Lee et al., Phys. Rev. B 50, 13379 (1994).
22. E. Cho et al., Phys. Rev. B 73, 193202 (2006).
23. A. Amtout and R. Leonelli, Phys. Rev. B 51, 6842 (1995).
24. D. W. Fisher, Phys. Rev. B 5, 4219 (1972).
25. Z. Zhang et al., Phys. Rev. B 43, 12004 (1991).
26. D. C. Cronemeyer, Phys. Rev. 113, 1222 (1959).
27. V. E. Henrich et al., Phys. Rev. Lett. 36, 1335 (1976).
28. V. E. Henrich and R. L. Kurtz, Phys. Rev. B 23, 6280 (1981).
29. W. C. Mackrodt et al., Surf. Sci. 384, 192 (1997).
30. J. M. D. Coey et al., Nature Mater. 4, 173 (2005).
31. P. W. Anderson, Phys. Rev. 79, 350 (1950).
32. J. B. Goodenough, Phys. Rev. 100, 564 (1955).
33. J. Kanamori, J. Phys. Chem. Solids 10, 87 (1958).
34. R. Janisch et al., Phys. Rev. B 73, 035201 (2006).
35. J. B. Goodenough, Phys. Rev. 117, 1442 (1960).