Títol:
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Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3
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Autor/a:
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Ruiz Sabín, Eliseo; Cano Boquera, Joan; Álvarez, Santiago (Álvarez Reverter); Alemany i Cahner, Pere; Verdaguer, Michel
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Altres autors:
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Universitat de Barcelona |
Abstract:
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A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously. |
Matèries:
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-Teoria del funcional de densitat -Materials magnètics -Density functional theory -Magnetic materials |
Drets:
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(c) The American Physical Society, 2000
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Tipus de document:
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Article Article - Versió publicada |
Publicat per:
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The American Physical Society
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Compartir:
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