Charge and Spin Order in RNiO3 (R=Nd, Y) by LSDA+U Method

Journal of the Physical Society of Japan

Volumn 71, Issue 5, 2002, Pages 1226-1229

  Yamamoto, Susumu ^a   Fujiwara, Takeo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Charge order; LSDA+U; Perovskite nickelates; Spin order

Indexed keywords

NEODYMIUM; NICKEL; PEROVSKITE; YTTRIUM;

ARTICLE; CALCULATION; CRYSTALLOGRAPHY; ELECTRON SPIN RESONANCE; ENERGY; MAGNETISM; MATHEMATICAL MODEL; POLARIZATION;

EID: 0036306029     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.71.1226     Document Type: Article

References (17)

1. J. L. García-Muñoz, J. Rodríguez-Carvajal, P. Lacorre and J. B. Torrance: Phys. Rev. B 46 (1992) 4414.
2. J. L. García-Muñoz, J. Rodríguez-Carvajal and P. Lacorre: Phys. Rev. B 50 (1994) 978.
3. J. Rodríguez-Carvajal, S. Rosenkranz, M. Medarde, P. Lacorre, M. T. Fernandez-Díaz, F. Fauth and V. Trounov: Phys. Rev. B 57 (1998) 456.
4. J. A. Alonso, J. L. García-Muñoz, M. T. Fernandez-Dí az, M. A. G. Aranda, M. J. Martínez-Lope and M. T. Casais: Phys. Rev. Lett. 82 (1999) 3871.
5. J. A. Alonso, M. J. Martínez-Lope, M. T. Casais, J. L. García-Muñoz and M. T. Fernandez-Díaz: Phys. Rev. B 61 (2000) 1756.
6. T. Katsufuji, Y. Okimoto, T. Arima, Y. Tokura and J. B. Torrance: Phys. Rev. B 51 (1995) 4830.
7. A. I. Liechtenstein, V. I. Anisimov and J. Zaanen: Phys. Rev. B 52 (1995) R5467.
8. A. E. Bocquet, T. Mizokawa, T. Saitoh, H. Namatame and A. Fujimori: Phys. Rev. B 46 (1992) 3771.
9. V. I. Anisimov, J. Zaanen and O. K. Andersen: Phys. Rev. B 44 (1991) 943.
10. S. Yamamoto and T. Fujiwara: to be published in Proc. 8th ISSP Int. Symp. Correlated Electrons, Kashiwa, 2001 (Elsevier, 2002).
11. S. C. Miller and W. F. Love: Tables of Irreducible Representations of Space Groups and Co-Representations of Magnetic Space Group (Pruett Press, Boulder, Colorado, 1967).
12. S. Sugano and R. G. Shulman: Phys. Rev. 130 (1963) 517.
13. ba structure corresponds to the 2√2 × √2 × 4 supercell of the cubic cell, as in Fig. 2.
14. T. Mizokawa, D. I. Khomskii and G. A. Sawatzky: Phys. Rev. B 61 (2000) 11263.
15. S. Sugano, Y. Tanabe and H. Kamimura: Multiplets of Transition-metal Ions in Crystals (Academic Press, New York, 1970).
16. -5.
17. J.-S. Zhou, J. B. Goodenough, B. Dabrowski, P. W. Klamut and Z. Bukowski: Phys. Rev. Lett, 84 (2000) 526.