Journal of Applied Physics
Feedback | Help | Exit
Journal of Applied Physics
Search:
   
 
 
 
Previous Article
Flux pinning of stress-induced magnetic inhomogeneity in the bilayers of YBa2Cu3O7−delta/La0.67Sr0.33MnO3−delta
Elaborately designed bilayers consisting of epitaxial YBa2Cu3O7− (YBCO) and La0.67Sr0.33MnO3− (LSMO) films were fabricated by pulsed laser deposition with respect to the investigation into...
Next Article
Anomalous Hall effect measurement of novel magnetic multilayers
We have used the method of anomalous Hall effect (AHE) to characterize magnetic thin film structures consisting of both perpendicular (normal-to-plane) and longitudinal (in-plane) anisotropies. AHE en...

Magnetic and optical anomalies in infinite-layer iron oxide CaFeO2 and BaFeO2: A density functional theory investigation

J. Appl. Phys. 106, 093903 (2009); doi:10.1063/1.3238271

Published 2 November 2009

You are not logged in to this journal. Log in

Sheng Ju1 and Tian-Yi Cai1,2
1Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006, People's Republic of China
2Department of Physics, The University of Texas, Austin, Texas 78712, USA
Based on density functional theory with the generalized gradient approximation plus on-site Coulomb repulsion method, we study the electronic, magnetic, and optical properties in infinite-layer iron oxide CaFeO2 and BaFeO2. It is revealed that CaFeO2 possesses a P[overline 4]21m tetragonal symmetry. And the single down-spin electron of Fe2+ occupies dz2 level instead of Jahn–Teller instability from the double degenerated dx2−y2 and dz2 levels predicted in crystal field theory. Magnetic structure shows great contrast between intralayer and interlayer exchange interactions. Linear dielectric function, on the other hand, exhibits obvious anisotropic behavior between in plane and out of plane responses. For the larger ionic size of Ba, BaFeO2 is found to have a P4/mmm tetragonal symmetry, which is similar with SrFeO2. In the mean time, both magnetic and optical properties exhibit much stronger anisotropic behavior. Together with the previous calculations of SrFeO2, it is found the anisotropic behaviors in these two dimensional structures are robust and independent of A-site size. ©2009 American Institute of Physics
History: Received 13 March 2009; accepted 5 September 2009; published 2 November 2009
Permalink: http://link.aip.org/link/?JAPIAU/106/093903/1
BUY THIS ARTICLE   (US$24)
Download HTML Download Sectioned HTML Download PDF (443 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • 71.70.Ej
    Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect (condensed matter)
  • 75.25.+z
    Spin arrangements in magnetically ordered materials
  • 77.22.Ch
    Permittivity (dielectric function)
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-8979 (print)   1089-7550 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (22)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. Y. Tsujimoto, C. Tassel, N. Hayashi, T. Watanabe, H. Kageyama, K. Yoshimura, M. Takano, M. Ceretti, C. Ritter, and W. Paulus, Nature (London) 450, 1062 (2007).
  2. C. Tassel, T. Watanabe, Y. Tsujimoto, N. Hayashi, A. Kitada, Y. Sumida, T. Yamamoto, H. Kageyama, M. Takano, and K. Yoshimura, J. Am. Chem. Soc. 130, 3764 (2008).
  3. S. Inoue, M. Kawai, Y. Shimakawa, M. Mizumaki, N. Kawamura, T. Watanabe, Y. Tsujimoto, H. Kageyama, and K. Yoshimura, Appl. Phys. Lett. 92, 161911 (2008).
  4. C. Tassel, J. M. Pruneda, N. Hayashi, T. Watanabe, A. Kitada, Y. Tsujimoto, H. Kageyama, K. Yoshimura, M. Takano, M. Nishi, K. Ohoyama, M. Mizumaki, N. Kawamura, J. Iniguez, and E. Canadell, J. Am. Chem. Soc. 131, 221 (2009).
  5. H. J. Xiang, S. H. Wei, and W. H. Whangbo, Phys. Rev. Lett. 100, 167207 (2008).
  6. J. M. Pruneda, J. Iniguez, E. Canadell, H. Kageyama, and M. Takano, Phys. Rev. B 78, 115101 (2008).
  7. S. Ju and T. -Y. Cai, Appl. Phys. Lett. 94, 061902 (2009).
  8. J. Goodenough, Phys. Rev. 100, 564 (1955).
  9. P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
  10. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
  11. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
  12. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
  13. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
  14. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
  15. P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
  16. G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
  17. S. Ju, T. -Y. Cai, and G. -Y. Guo, J. Chem. Phys. 130, 214708 (2009).
  18. S. Ju and G. -Y. Guo, Appl. Phys. Lett. 92, 202504 (2008).
  19. J. Hafner, J. Comput. Chem. 29, 2044 (2008).
  20. H. J. Kulik, M. Cococcioni, D. A. Scherlis, and N. Marzari, Phys. Rev. Lett. 97, 103001 (2006).
  21. A. Rohrbach, J. Hafner, and G. Kresse, J. Phys.: Condens. Matter 15, 979 (2003).
  22. F. Zhou, C. A. Marianetti, M. Cococcioni, D. Morgan, and G. Ceder, Phys. Rev. B 69, 201101 (2004).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics