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

Physics – Condensed Matter – Materials Science

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Scientific paper

10.1103/PhysRevB.69.132409

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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