Title:
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Local character of magnetic coupling in ionic solids
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Author:
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Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Calzado, C. J.; Sanz, J. F.; Malrieu, J. P.; Ben Amor, N.; Maynau, D.
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Other authors:
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Universitat de Barcelona |
Abstract:
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Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids including KNiF3, K2NiF4, KCuF3, K2CuF4, and high- Tc parent compound La2CuO4, the J experimental value is quantitatively reproduced. This result has fundamental implications because J values have been calculated from a finite cluster model whereas experiments refer to infinite solids. The present study permits us to firmly establish that in these wide-gap insulators, J is determined from strongly local electronic interactions involving two magnetic centers only thus providing an ab initio support to commonly used model Hamiltonians. |
Subject(s):
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-Materials magnètics -Propietats magnètiques -Física de l'estat sòlid -Magnetic properties -Solid state physics -Magnetic materials |
Rights:
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(c) The American Physical Society, 1999
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Document type:
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Article Article - Published version |
Published by:
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The American Physical Society
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