Transport, optical and electronic properties of the half metal CrO2

Details Transport, optical and electronic properties of the half metal CrO2 Transport, optical and electronic properties of the half metal CrO2

1998-06-30

arxiv.org/abs/cond-mat/9806378v1

Phys. Rev. B59 (1999) 411

Physics

Condensed Matter

Materials Science

9 Revtex 2 column pages, including 8 postscript figures. Two more figures are included in the submission that are not embedded

Scientific paper

10.1103/PhysRevB.59.411

The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet, with a particular emphasis on optical properties. We find only moderate manifestations of many body effects. Renormalization of the density of states is not large and is in the typical for transition metals range. We find substantial deviations from Drude behavior in the far-infrared optical conductivity. These appear because of the unusually low energy of interband optical transitions. The calculated mass renormalization is found to be rather sensitive to the exchange-correlation functional used and varies from 10% (LSDA) to 90% (GGA), using the latest specific heat data. We also find that dressing of the electrons by spin fluctuations, because of their high energy, renormalizes the interband optical transition at as high as 4 eV by about 20%. Although we find no clear indications of strong correlations of the Hubbard type, strong electron-magnon scattering related to the half metallic band structure is present and this leads to a nontrivial temperature dependence of the resistivity and some renormalization of the electron spectra.

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