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Anisotropy of the orbital methods and the magnetic dipole term $T_z$ in ${\rm CrO_2}$: An {\it ab-initio} studt

Matej Komelj·Claude Ederer·Manfred Faehnle
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Abstract

A systematic study is performed by the {\it ab-initio} density functional theory of the anisotropy of the orbital moments $ $ and the magnetic dipole term $ $ in bulk ${\rm CrO_2}$. Two different band-structure techniques are used (FLAPW and LMTO-ASA), and the electronic correlations are treated by the local-spin-density approximation (LSDA), the LSDA+ orbital polarization method, and the LSDA+$U$ method. The calculated anisotropies of $ $ and $ $ are very large compared to Fe, Ni and Co but still a factor of 5 and 2 smaller than the anisotropies obtained from a recently suggested analysis of the X-ray magnetic circular dichroism spectra for a thick layer of ${\rm CrO_2}$.

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Matej Komelj, Claude Ederer, Manfred Faehnle. 2003-12-18. Anisotropy of the orbital methods and the magnetic dipole term $T_z$ in ${\rm CrO_2}$: An {\it ab-initio} studt. https://doi.org/10.1103/physrevb.69.132409

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