Electronic structure and magnetic anisotropy ofCrO2

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Electronic structure and magnetic anisotropy of CrO2

The problem of importance of strong correlations for the electronic structure, transport, and magnetic properties of half-metallic ferromagnetic CrO2 is addressed by performing density functional electronic structure calculations in the local spin density approximation sLSDAd as well as using the LSDA1U method. It is shown that the corresponding low-temperature experimental data are best fitted...

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Electronic structure and magnetic interactions

– We present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV2O4. The augmented spherical wave calculations are based on density functional theory within the local density approximation. The electronic properties near the Fermi energy originate almost exclusively from V 3d t2g states, which fall into two equally occupied...

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Electronic structure anisotropy and d-configuration in Ni-based materials.

Ni K-edge x-ray-absorption spectroscopy ~XAS! measurements on a series of perovskite-layer-based nickelate compounds, with varying formal Ni valence, are presented. Spectral features that vary systematically with the Ni configuration are identified for these Ruddlesden-Popper phase and Sr substituted Ln22xSrxNiO4 ~Ln5La and Nd! materials. Selected polarized XAS results on the La22xSrxNiO4 syste...

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ژورنال

عنوان ژورنال: Physical Review B

سال: 2005

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.71.172403