Exchange and correlation effects in transition-metal oxides 3dn (n = 4, 5 and 6)

Comptes Rendus Chimie

Volumn 6, Issue 1, 2003, Pages 135-145

  Pouchard, Michel ^a   Villesuzanne, Antoine ^a   Doumerc, Jean Pierre ^a  

^a INST CHIM MATIERE COND BORDEAUX   (France)

Author keywords

Correlation; Crystal field; Electronic structure; Exchange; Metal insulator transitions; Spin state phase diagrams; Transition metal oxides

Indexed keywords

CATION; METAL OXIDE;

CALCULATION; CHEMICAL BINDING; CHEMICAL MODEL; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; CRYSTALLIZATION; ION EXCHANGE; LINEAR SYSTEM; METHODOLOGY; PHASE TRANSITION; PREDICTION; REVIEW; STRUCTURE ANALYSIS;

EID: 0037569681     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1631-0748(03)00014-6     Document Type: Review

References (14)

1. Cohen-Tannoudji C. Diu B. Laloë F. Mécanique quantique, tome II, Hermann, Paris, 1998, p. 1410
2. Morgan J.D. III Kutzelnigg W. J. Phys. Chem. 97 1993 2425
3. Anisimov V.I. Zaanen J. Andersen O.K. Phys. Rev. B 44 1991 943
4. Clementi E. Raimondi D.L. J. Chem. Phys. 38 1963 2686
5. Kanamori J. J. Phys. Chem. Solids 10 87 1963
6. Brandow J. Adv. Phys. 26 1977 651
7. Krishnamurthy R. Shaap W.B. J. Chem. Educ. 46 1969 799
8. Pouchard M. Villesuzanne A. Doumerc J.P. J. Solid State Chem. 162 2001 282
9. Pickett W.E. Singh D.J. Phys. Rev. B 53 1996 1146
10. Goodenough J.B. Progr. Solid State Chem. 5 1971 145
11. Señaris-Rodriguez M.A. Goodenough J.B. J. Solid State Chem. 116 1995 224
12. Korotin M.A. Ezhov S.Y. Solovyev I.V. Anisimov V.I. Khomskii D.I. Sawatzky G.A. Phys. Rev. B 54 1996 5309
13. Ray S. Kumar A. Majumdar S. Sampathkumaran E.V. Sarma D.D. J. Phys.: Condens. Mat. 13 2001 607
14. Whangbo M.H. Koo H.J. Villesuzanne A. Pouchard M. Inorg. Chem. 41 2002 1920