ELECTRONIC-STRUCTURE OF 3D TRANSITION-METAL PEROVSKITES, LAMO(3) FROMBAND-STRUCTURE CALCULATIONS

Authors
SARMA DD SHANTHI N MAHADEVAN P
Citation
Dd. Sarma et al., ELECTRONIC-STRUCTURE OF 3D TRANSITION-METAL PEROVSKITES, LAMO(3) FROMBAND-STRUCTURE CALCULATIONS, Physica. C, Superconductivity, 235, 1994, pp. 2115-2116
Citations number
8
Categorie Soggetti
Physics, Applied
Journal title
Physica. C, Superconductivity → ACNP
ISSN journal
09214534
Volume
235
Year of publication
1994
Part
3
Pages
2115 - 2116
Database
ISI
SICI code
0921-4534(1994)235:<2115:EO3TPL>2.0.ZU;2-A
Abstract
We have performed band structure calculations for LaMO(3) with M=Ti-Ni within the linearized Muffin-tin orbital (LMTO) method using the atom ic sphere approximation (ASA). We have estimated the charge transfer e xcitation energy (Delta) and the hopping interaction strengths (t) by fitting LMTO-ASA results with that from a parametrized tight binding ( TB) approach and compared the results with experiments.