Spin state of LaCoO 3: Dependence on CoO 6 octahedra geometry

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 5, 2005, Pages

  Knizek K ^a   Novak P ^a   Jirak Z ^a  

^a INSTITUTE OF PHYSICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT; COBALT DERIVATIVE; LANTHANUM; PEROVSKITE;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; GEOMETRY; LOW TEMPERATURE; MAGNETISM; PRESSURE GRADIENT;

EID: 15744384126     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.054420     Document Type: Article

References (22)

1. M. A. Señarís-Rodríguez and J. B. Goodenough, J. Solid State Chem. 116, 224 (1995).
2. S. Yamaguchi, Y. Okimoto, H. Taniguchi, and Y. Tokura, Phys. Rev. B 53, R2926 (1996).
3. T. Saitoh, T. Mizokawa, A. Fujimori, M. Abbate, Y. Takeda, and M. Takano, Phys. Rev. B 55, 4257 (1997).
4. K. Asai, A. Yoneda, O. Yokokura, J. M. Tranquada, G. Shirane, and K. Kohn, J. Phys. Soc. Jpn. 67, 290 (1998).
5. Y. Kobayashi, N. Fujiwara, S. Murata, K. Asai, and H. Yasuoka, Phys. Rev. B 62, 410 (2000).
6. C. Zobel, M. Kriener, D. Bruns, J. Baier, M. Grüninger, T. Lorenz, P., Reutler, and A. Revcolevschi, Phys. Rev. B 66, 020402(R) (2002).
7. M. A. Korotin, S. Y. Ezhov, I. V. Solovyev, V. I. Anisimov, D. I. Khomskii, and G. A. Sawatzky, Phys. Rev. B 54, 5309 (1996).
8. G. Thornton, B. C. Tofield, and A. W. Hewat, J. Solid State Chem. 61, 301 (1986).
9. P. Ravindran, H. Fjellvåg, A. Kjekshus, P. Blaha, K. Schwarz, and J. Luitz, J. Appl. Phys. 91, 291 (2002).
10. P. G. Radaelli and S.-W. Cheong, Phys. Rev. B 66, 094408 (2002).
11. G. Maris, Y. Ren, V. Volotchaev, C. Zobel, T. Lorenz, and T. T. M. Palstra, Phys. Rev. B 67, 224423 (2003).
12. T. Vogt, J. A. Hriljac, N. C. Hyatt, and P. Woodward, Phys. Rev. B 67, 140401 (2003).
13. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz, Techn. Universtät, Wien, Austria, 2001. ISBN 3-9501031-1-2.
14. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method (Kluwer Academic, Dordrecht, 1994).
15. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
16. Z. Yang, Z. Huang, L. Ye, and X. Xie, Phys. Rev. B 60, 15 674 (1999).
17. V. I. Anisimov, I. V. Solovyev, M. A. Korotin, M. T. Czyzyk, and G. A. Sawatzky, Phys. Rev. B 48, 16 929 (1993).
18. P. Blaha, K. Schwarz, and P. Novák, Int. J. Quantum Chem. (to be published).
19. J. Hejtmánek, Z. Jirák, K. Knížek, M. Maryško, M. Veverka, and H. Fujishiro, J. Magn. Magn. Mater. 272-276, E283 (2004).
20. M. Medarde, J. Mesot, P. Lacorre, S. Rosenkranz, P. Fischer, and K. Gobrecht, Phys. Rev. B 52, 9248 (1995).
21. W. A. Harrison, The Electronic Structure and Properties of Solids (Freeman, San Francisco, 1980).
22. A. Abragam and B. Bleaney, Electron Paramagnetic Resonance of Transition Ions (Oxford University Press, Oxford, 1970), Chap. 16.