Origin of antiferromagnetism in CoO: A density functional theory study

Applied Physics Letters

Volumn 96, Issue 16, 2010, Pages

  Deng, Hui Xiong ^a   Li, Jingbo ^a   Li, Shu Shen ^a   Xia, Jian Bai ^a   Walsh, Aron ^b   Wei, Su Huai ^c  

^a INSTITUTE OF SEMICONDUCTORS   (China)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ANTIFERROMAGNETIC GROUND STATE; ANTIFERROMAGNETICS; FERROMAGNETIC PHASE; ROCK-SALT STRUCTURE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SUPEREXCHANGE INTERACTION;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; COBALT COMPOUNDS; FERROMAGNETISM; SPIN DYNAMICS; STRONTIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 77951793835     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3402772     Document Type: Article

References (25)

1. M. J. Redman and E. G. Steward, Nature (London) NATUAS 0028-0836 193, 867 (1962). 10.1038/193867a0
2. T. Archer, R. Hanafin, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 78, 014431 (2008). 10.1103/PhysRevB.78.014431
3. J. Zaanen, G. A. Sawatzky, and J. W. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 55, 418 (1985). 10.1103/PhysRevLett.55.418
4. W. A. Harrison, Phys. Rev. B PRBMDO 0163-1829 76, 054417 (2007). 10.1103/PhysRevB.76.054417
5. B. H. Miller and E. Dan Dahlberga, Appl. Phys. Lett. APPLAB 0003-6951 69, 3932 (1996). 10.1063/1.117574
6. E. Shipton, K. Chan, T. Hauet, O. Hellwig, and E. E. Fullerton, Appl. Phys. Lett. APPLAB 0003-6951 95, 132509 (2009). 10.1063/1.3240402
7. W. Zhang, K. Koepernik, M. Richter, and H. Eschrig, Phys. Rev. B PRBMDO 0163-1829 79, 155123 (2009). 10.1103/PhysRevB.79.155123
8. E. Engel and R. N. Schmid, Phys. Rev. Lett. PRLTAO 0031-9007 103, 036404 (2009). 10.1103/PhysRevLett.103.036404
9. C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 79, 235114 (2009). 10.1103/PhysRevB.79.235114
10. S. Jin, Th. Tiefel, M. McCormarck, R. Fastnacht, and R. Rchen, Science SCIEAS 0036-8075 264, 413 (1994). 10.1126/science.264.5157.413
11. A. J. Millis, Nature (London) NATUAS 0028-0836 392, 147 (1998). 10.1038/32348 (Pubitemid 28162779)
12. C. G. Shull, W. A. Strauser, and O. Wollan, Phys. Rev. PRVAAH 0096-8250 83, 333 (1951). 10.1103/PhysRev.83.333
13. G. M. Dalpian, S. -H. Wei, X. G. Gong, A. J. R. da Silva, and A. Fazzio, Solid State Commun. SSCOA4 0038-1098 138, 353 (2006). 10.1016/j.ssc.2006.03.002
14. J. M. D. Coey, M. Venkatesan, and C. B. Fitzgerald, Nature Mater. NMAACR 1476-1122 4, 173 (2005). 10.1038/nmat1310 (Pubitemid 40178719)
15. A. Walsh, J. L. F. Da Silva, and S. -H. Wei, Phys. Rev. Lett. PRLTAO 0031-9007 100, 256401 (2008). 10.1103/PhysRevLett.100.256401
16. W. L. Roth, Phys. Rev. PRVAAH 0096-8250 110, 1333 (1958). 10.1103/PhysRev.110.1333
17. U. D. Wdowik and K. Parlinski, Phys. Rev. B PRBMDO 0163-1829 75, 104306 (2007). 10.1103/PhysRevB.75.104306
18. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 33, 8800 (1986). 10.1103/PhysRevB.33.8800
19. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 47, R558 (1993) 10.1103/PhysRevB.47.558
20. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 48, 13115 (1993). 10.1103/PhysRevB.48.13115
21. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 0163-1829 13, 5188 (1976). 10.1103/PhysRevB.13.5188
22. W. E. Pickett, S. C. Erwin, and E. C. Ethridge, Phys. Rev. B PRBMDO 0163-1829 58, 1201 (1998). 10.1103/PhysRevB.58.1201
23. S. -H. Wei and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 48, 6111 (1993). 10.1103/PhysRevB.48.6111
24. Z. -X. Shen, J. W. Allen, P. A. P. Lindberg, D. S. Dessau, B. O. Wells, A. Borg, W. Ellis, J. S. Kang, S. -J. Oh, I. Lindau, and W. E. Spicer, Phys. Rev. B PRBMDO 0163-1829 42, 1817 (1990). 10.1103/PhysRevB.42.1817
25. Y. C. Sui, Y. Zhao, J. Zhang, S. Jaswal, X. Z. Li, and D. J. Sellmyer, IEEE Trans. Magn. IEMGAQ 0018-9464 43, 3115 (2007). 10.1109/TMAG.2007.894204 (Pubitemid 46793908)