Direct versus kinetic exchange in multiband models for organic ferromagnetism

Sinha, Bhabadyuti ; Ramasesha, S. (1993) Direct versus kinetic exchange in multiband models for organic ferromagnetism Physical Review B: Condensed Matter and Materials Physics, 48 (22). pp. 16410-16416. ISSN 1098-0121

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Official URL: http://prb.aps.org/abstract/PRB/v48/i22/p16410_1

Related URL: http://dx.doi.org/10.1103/PhysRevB.54.7598

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:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:39441
Deposited On:12 May 2011 14:08
Last Modified:12 May 2011 14:08

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