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

Journal Article · Mon May 01 00:00:00 EDT 2000 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.373254· OSTI ID:20216222

Zein, N E ^[1]; Antropov, V P ^[1]; Harmon, B N ^[1]

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1. Ames Laboratory, Iowa State University, Iowa 50011 (United States)

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.

• OSTI ID: 20216222
• Journal Information: Journal of Applied Physics, Vol. 87, Issue 9; Other Information: PBD: 1 May 2000; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SPIN WAVES
EXCHANGE INTERACTIONS
TRANSITION ELEMENTS
MAGNETIC SUSCEPTIBILITY
DISPERSION RELATIONS
MUFFIN-TIN POTENTIAL
GREEN FUNCTION
IRON
BOUND STATE
THEORETICAL DATA