Electronic structure ofCrO 2 as deduced from its magneto-optical Kerr spectra
Author(s) -
J. Kuneš,
P. Novák,
Peter M. Oppeneer,
C. König,
M. Fraune,
U. Rüdiger,
G. Güntherodt,
Claudia Draxl
Publication year - 2002
Publication title -
physical review. b, condensed matter
Language(s) - English
Resource type - Journals
eISSN - 1095-3795
pISSN - 0163-1829
DOI - 10.1103/physrevb.65.165105
Subject(s) - spectral line , physics , kerr effect , coulomb , condensed matter physics , materials science , nuclear magnetic resonance , quantum mechanics , nonlinear system , electron
We report a combined experimental-computational investigation of the electronic structure of ${\mathrm{CrO}}_{2}.$ We have measured the magneto-optical Kerr spectra of ${\mathrm{CrO}}_{2}$ at 10 K and 300 K. At 10 K the Kerr signal is significantly enhanced over that obtained at 300 K. We compare the measured Kerr spectra to first-principles theoretical spectra, which we computed using three different approximations to the exchange-correlation functional, i.e., the local spin-density approximation (LSDA), generalized gradient approximation (GGA), and $\mathrm{LSDA}+U.$ The experimental low-temperature magneto-optical Kerr spectra are best explained by calculations employing the GGA functional. The addition of an on-site Coulomb correlation U does not lead to reasonable Kerr spectra.
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