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Electronic structure of 3d transition metal perovskites, $LaMO_3$ from band structure calculations

Sarma, DD and Shanthi, N and Mahadevan, Priya (1994) Electronic structure of 3d transition metal perovskites, $LaMO_3$ from band structure calculations. In: Physica C:Superconductivity, 235-24 (3). pp. 2115-2116.

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Abstract

We have performed band structure calculations for $LaMO_3$ with M=Ti-Ni within the linearized muffin-tin orbital (LMTO) method using the atomic sphere approximation (ASA). We have estimated the charge transfer excitation 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.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Physical & Mathematical Sciences > Physics
Date Deposited: 13 Aug 2007
Last Modified: 19 Sep 2010 04:38
URI: http://eprints.iisc.ernet.in/id/eprint/11026

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