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Half-metallic ferromagnetism and spin polarization in CrO2: a detailed VCA study

H. ALLMAIER1,* , L. CHIONCEL2,1, E. ARRIGONI1, E. BURZO3, F. BEIUSEANU2, M. I. KATSNELSON4, A. I. LICHTENSTEIN5

Affiliation

  1. Institute of Theoretical Physics, Graz University of Technology, A-8010 Graz, Austria
  2. Department of Physics, University of Oradea, RO-410087 Oradea, Romania
  3. Faculty of Physics, Babes-Bolyai university RO-400084 Cluj-Napoca, Romania
  4. Institute for Molecules and Materials, Radboud University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands
  5. Institute of Theoretical Physics, University of Hamburg, 20355 Hamburg, Germany

Abstract

We present a combined electronic structure and many-body calculation for the half-metallic ferromagnet CrO2. A realistic three-band Hubbard Hamiltonian is used to describe the relevant t2g orbitals which is solved within a self consistent variational cluster approach. To demonstrate the robustness of our results we show that results does not change significantly when increasing the dimension of clusters..

Keywords

Half metallic ferromagnet, Band structure, Magnetic properties, CrO2, Three-band Hubbard hamiltanian.

Submitted at: Feb. 25, 2008
Accepted at: April 4, 2008

Citation

H. ALLMAIER, L. CHIONCEL, E. ARRIGONI, E. BURZO, F. BEIUSEANU, M. I. KATSNELSON, A. I. LICHTENSTEIN, Half-metallic ferromagnetism and spin polarization in CrO2: a detailed VCA study, Journal of Optoelectronics and Advanced Materials Vol. 10, Iss. 4, pp. 737-743 (2008)