Spin fluctuations in nearly magnetic metals from ab initio dynamical spin susceptibility calculations: Application to Pd and Cr95V5

Citation
Jb. Staunton et al., Spin fluctuations in nearly magnetic metals from ab initio dynamical spin susceptibility calculations: Application to Pd and Cr95V5, PHYS REV B, 62(2), 2000, pp. 1075-1082
Citations number
47
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
2
Year of publication
2000
Pages
1075 - 1082
Database
ISI
SICI code
0163-1829(20000701)62:2<1075:SFINMM>2.0.ZU;2-B
Abstract
We describe our theoretical formalism and computational scheme for making a b initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is time-dependent densi ty functional theory within an electronic multiple scattering, imaginary ti me Green function formalism. Results receive a natural interpretation in te rms of overdamped oscillator systems making them suitable for incorporation into spin fluctuation theories. For illustration we apply our method to th e nearly ferromagnetic metal Pd and the nearly antiferromagnetic chromium a lloy Cr95V5 We compare and contrast the spin dynamics of these two metals a nd in each case identify those fluctuations with relaxation times much long er than typical electronic "hopping times."