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

Autor:	B. N. Harmon, Vladimir Antropov, N. E. Zein
Rok vydání:	2000
Předmět:	Ferromagnetism Spin wave Chemistry Dispersion relation Magnon Quantum electrodynamics Bound state General Physics and Astronomy Condensed Matter::Strongly Correlated Electrons Density functional theory Local-density approximation Magnetic susceptibility
Zdroj:	Journal of Applied Physics. 87:5079-5081
ISSN:	1089-7550 0021-8979
DOI:	10.1063/1.373254
Popis:	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.
Databáze:	OpenAIRE
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