UNSPECIFIED (2000) Spin fluctuations in nearly magnetic metals from ab initio dynamical spin susceptibility calculations: Application to Pd and Cr95V5. PHYSICAL REVIEW B, 62 (2). pp. 1075-1082. ISSN 0163-1829

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Abstract

We describe our theoretical formalism and computational scheme for making ab initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is time-dependent density functional theory within an electronic multiple scattering, imaginary time Green function formalism. Results receive a natural interpretation in terms of overdamped oscillator systems making them suitable for incorporation into spin fluctuation theories. For illustration we apply our method to the nearly ferromagnetic metal Pd and the nearly antiferromagnetic chromium alloy Cr95V5 We compare and contrast the spin dynamics of these two metals and in each case identify those fluctuations with relaxation times much longer than typical electronic "hopping times."

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Journal or Publication Title:	PHYSICAL REVIEW B
Publisher:	AMERICAN PHYSICAL SOC
ISSN:	0163-1829
Date:	1 July 2000
Volume:	62
Number:	2
Number of Pages:	8
Page Range:	pp. 1075-1082
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/13195

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