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Author Ravindran, P. ♦ Delin, A. ♦ James, P. ♦ Johansson, B. ♦ Wills, J. M. ♦ Ahuja, R. ♦ Eriksson, O.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ ANTIMONY ALLOYS ♦ ARSENIC ALLOYS ♦ BISMUTH ALLOYS ♦ MANGANESE ALLOYS ♦ MANGANESE COMPOUNDS ♦ ARSENIDES ♦ ANTIMONIDES ♦ BISMUTH COMPOUNDS ♦ MAGNETO-OPTICAL EFFECTS ♦ KERR EFFECT ♦ FARADAY EFFECT ♦ PNICTIDES ♦ MUFFIN-TIN POTENTIAL ♦ REFLECTIVITY ♦ ABSORPTION SPECTRA ♦ REFRACTIVE INDEX
Abstract The magneto-optic (MO) Kerr and Faraday spectra for manganese pnictides are calculated using the all electron, relativistic, full-potential linear muffin-tin orbital method. The amplitude of our calculated spectra are found to be in good agreement with corresponding experimental spectra. Although the MO property is a rather complicated function of the diagonal and off-diagonal elements of the optical conductivity tensor, present theory nevertheless provides very practical insight about its origin in these compounds. The largest Kerr effect observed in MnBi can be understood as a combined effect of maximal exchange splitting of Mn 3d states and the nearly maximal spin-orbit (s-o) coupling of Bi. The frequency-dependent optical properties, namely reflectivity, absorption coefficient, electron-energy-loss spectra, refractive index, extinction coefficient are given. From our calculations (including spin-orbit coupling and orbital polarization) the site-projected spin and orbital moments are also obtained and compared to the available experimental values and a good agreement is found. The magnetic anisotropy energy is calculated with a minimal number of approximations for the three systems. A disagreement between theory and experiment is found. Using the generalized gradient corrected full-potential linear augmented plane-wave method we have calculated the unscreened plasma frequencies and the hyperfine parameters such as electric-field gradient as well as the hyperfine field. {copyright} {ital 1999} {ital The American Physical Society}
ISSN 01631829
Educational Use Research
Learning Resource Type Article
Publisher Date 1999-06-01
Publisher Place United States
Journal Physical Review, B: Condensed Matter
Volume Number 59
Issue Number 24


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