Electronic structure of $LaCrO_3,LaMnO_3$ and $LaFeO_3$ from ab initio spin-polarized calculations

Mahadevan, Priya and Shanthi, N and Sarma, DD (1997) Electronic structure of $LaCrO_3,LaMnO_3$ and $LaFeO_3$ from ab initio spin-polarized calculations. In: Journal of Physics: Condensed Matter, 9 (15). pp. 3129-3138.

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Abstract

The electronic structures of the $LaMO_3$ series are discussed on the basis of ab initio band-structure calculations within the local spin-density approximation, which correctly predicts the insulating and magnetic structures in each case. The band dispersions obtained along various symmetry directions were mapped onto those calculated with a nearest-neighbour tight-binding model within a least-squared-error procedure, providing estimates for the various hopping strengths as well as the intra-atomic exchange strength in each case.

Item Type:	Journal Article
Publication:	Journal of Physics: Condensed Matter
Publisher:	Institute of Physics (IOP)
Additional Information:	Copyright of this article belongs to Institute of Physics (IOP).
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit Division of Physical & Mathematical Sciences > Physics
Date Deposited:	20 Jun 2007
Last Modified:	19 Sep 2010 04:35
URI:	http://eprints.iisc.ac.in/id/eprint/10102

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