A universal relation between electron density minima and ionic radii in ceramics

Materials Transactions

Volumn 45, Issue 7, 2004, Pages 1968-1972

  Yoshino, Masahito ^a   Morinaga, Masahiko ^a   Shimode, Akihiro ^a   Okabayashi, Kousuke ^a   Nakamatsu, Hirohide ^b   Sekine, Rika ^c  

^a NAGOYA UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Borides; Carbides; Ceramics; Electron density; Fluorides; Ionic radius; Molecular orbital method; Nitrides; Oxides

Indexed keywords

ALGORITHMS; CARRIER CONCENTRATION; CORRELATION METHODS; ELECTRONIC STRUCTURE; IONIC CONDUCTION; PEROVSKITE; QUANTUM THEORY;

ELECTRON DENSITY MINIMA; IONIC RADIUS; MOLECULAR ORBITAL METHOD; NATURAL LOGARITHM;

CERAMIC MATERIALS;

EID: 4544288138     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.45.1968     Document Type: Conference Paper

References (10)

1. R. S. Mulliken: J. Chem. Phys. 23 (1955) 1841-1849.
2. R. S. Mulliken: J. Chem. Phys. 23 (1955) 2338-2342.
3. R. F. W. Bader and H. Essen: J Chem. Phys. 80 (1984) 1943-1960.
4. J. C. Slater: The Calculation of Molecular Orbitals, (Wiley, New York, 1979).
5. F. W. Averill and D. E. Ellis: J. Chem. Phys. 59 (1973) 6412-6418.
6. H. Adachi, M. Tsukada and C. Satoko: J. Phys. Soc. Jpn. 45 (1978) 875-883.
7. M. Morinaga, N. Yukawa and H. Adachi: J. Phys. Soc. Jpn. 53 (1984) 653-663.
8. M. Morinaga and M. Yoshino: to be published.
9. Y. Aray, J. Rodriguez and D. Vega: J. Phys. Chem. B 104 (2000) 4608-4612.
10. R. D. Shannon: Acta Crystallogr. A32 (1976) 751-767.