Orbital ordering in the two-dimensional ferromagnetic semiconductor Rb_2CrCl_4

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We present the results of electronic structure calculations for the two-dimensional ferromagnet Rb_2CrCl_4. They are obtained by the augmented spherical wave method as based on density functional theory and the local density approximation. In agreement with experimental data Rb_2CrCl_4 is found to be semiconducting and displays long-range ferromagnetic order of the localized Cr 3d moments. The magnetic properties are almost independent of the structural modifications arising from the Jahn-Teller instability, which leads from the parent body-centered tetragonal K_2NiF_4 structure to a side-centered orthorhombic lattice. In contrast, our calculations give evidence for a strong response of the optical band gap to the corresponding structural changes.
7 pages, 4 figures, for more information see http://www.physik.uni-augsburg.de/~eyert/

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Strongly Correlated Electrons, Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/125801

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0510307
 http://arxiv.org/abs/cond-mat/0510307
 J. Magn. Magn. Mat. 312, L11-L15 (2007)
 doi:10.1016/j.jmmm.2006.10.1093

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arXiv