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Title: Screened exact exchange functional calculations of the spin-wave dispersion in transition metals

Abstract

The screened ''exact'' nonlocal exchange approach is applied to the calculation of magnetic susceptibility of transition metals, particularly to the calculation of spin-wave dispersion. We discuss the choice of an appropriate approach and aspects of linear muffin-tin orbital-atomic sphere approximation (ASA) calculations, in particular calculation of the Green function in the three-center approximation. We calculated transverse spin-wave frequencies in Fe with the local density approximation and with the nonlocal functional using both the ''frozen'' magnon method and calculation of bound state energies (corresponding to spin-wave excitations). (c) 2000 American Institute of Physics.

Authors:
 [1];  [1];  [1]
  1. Ames Laboratory, Iowa State University, Iowa 50011 (United States)
Publication Date:
OSTI Identifier:
20216222
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 87; Journal Issue: 9; Other Information: PBD: 1 May 2000; Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SPIN WAVES; EXCHANGE INTERACTIONS; TRANSITION ELEMENTS; MAGNETIC SUSCEPTIBILITY; DISPERSION RELATIONS; MUFFIN-TIN POTENTIAL; GREEN FUNCTION; IRON; BOUND STATE; THEORETICAL DATA

Citation Formats

Zein, N. E., Antropov, V. P., and Harmon, B. N. Screened exact exchange functional calculations of the spin-wave dispersion in transition metals. United States: N. p., 2000. Web. doi:10.1063/1.373254.
Zein, N. E., Antropov, V. P., & Harmon, B. N. Screened exact exchange functional calculations of the spin-wave dispersion in transition metals. United States. doi:10.1063/1.373254.
Zein, N. E., Antropov, V. P., and Harmon, B. N. Mon . "Screened exact exchange functional calculations of the spin-wave dispersion in transition metals". United States. doi:10.1063/1.373254.
@article{osti_20216222,
title = {Screened exact exchange functional calculations of the spin-wave dispersion in transition metals},
author = {Zein, N. E. and Antropov, V. P. and Harmon, B. N.},
abstractNote = {The screened ''exact'' nonlocal exchange approach is applied to the calculation of magnetic susceptibility of transition metals, particularly to the calculation of spin-wave dispersion. We discuss the choice of an appropriate approach and aspects of linear muffin-tin orbital-atomic sphere approximation (ASA) calculations, in particular calculation of the Green function in the three-center approximation. We calculated transverse spin-wave frequencies in Fe with the local density approximation and with the nonlocal functional using both the ''frozen'' magnon method and calculation of bound state energies (corresponding to spin-wave excitations). (c) 2000 American Institute of Physics.},
doi = {10.1063/1.373254},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 9,
volume = 87,
place = {United States},
year = {2000},
month = {5}
}