THEORETICAL-STUDY OF ORBITAL ORDERING IN YTIO3

Authors
SAWADA H HAMADA N TERAKURA K
Citation
H. Sawada et al., THEORETICAL-STUDY OF ORBITAL ORDERING IN YTIO3, Physica. B, Condensed matter, 237, 1997, pp. 46-47
Citations number
9
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica. B, Condensed matter → ACNP
ISSN journal
09214526
Volume
237
Year of publication
1997
Pages
46 - 47
Database
ISI
SICI code
0921-4526(1997)237:<46:TOOOIY>2.0.ZU;2-I
Abstract
The electronic structure calculation is performed to study the orbital ordering in YTiO3. Significant improvement of the results based on th e local spin-density approximation is obtained by the generalized grad ient approximation (GGA). The orbital ordering obtained by GGA is in g ood agreement with the experimental result and the Hartree-Fock calcul ation.