Direct versus kinetic exchange in multiband models for organic ferromagnetism

Sinha, Bhabadyuti and Ramasesha, S (1993) Direct versus kinetic exchange in multiband models for organic ferromagnetism. In: Physical Review B: Condensed Matter, 48 (22). pp. 16410-16416.

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Abstract

Multiband Hubbard and Pariser-Parr-Pople calculations have been carried out on mixed donor-acceptor (DA) stacks with doubly degenerate acceptor orbitals and nondegenerate donor orbitals at two-thirds filling. Model exact results for 2, 3, and 4 DA units show that McConnell's prediction of high-spin ground states in these systems is, in general, incorrect. The larger phase space available for the low-spin states leads to their kinetic stabilization in preference to high-spin states. However, for large electron-correlation strengths, the direct exchange dominates over the kinetic exchange resulting in a high-spin ground state

Item Type:	Journal Article
Publication:	Physical Review B: Condensed Matter
Publisher:	The American Physical Society
Additional Information:	Copyright of this article belongs to The American Physical Society.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	10 Feb 2011 07:17
Last Modified:	10 Feb 2011 07:17
URI:	http://eprints.iisc.ac.in/id/eprint/35403

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