Electronic structure and magnetostriction in bulk gadolinium

We have investigated the spontaneous anisotropic magnetostriction of element hcp Gd metal in two different approximations to density functional theory, the local spin density approximation (LSDA) and the so-called LSDA+U. As a rough model for the paramagnetic state with large persisting 4f-moments s...

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Bibliographic Details
Published in:	Journal of magnetism and magnetic materials Vol. 272-276; pp. E249 - E250
Main Authors:	Nitzsche, Ulrike, Richter, Manuel, Chaplygin, Igor, Koepernik, Klaus, Opahle, Ingo, Eschrig, Helmut
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01-05-2004
Subjects:	Density functional calculation Gadolinium LSDA+U Magnetostriction Magnetostriction 71.20.Eh 71.15.Nc 75.80.+q Gadolinium Density functional calculation LSDA+U
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Summary:	We have investigated the spontaneous anisotropic magnetostriction of element hcp Gd metal in two different approximations to density functional theory, the local spin density approximation (LSDA) and the so-called LSDA+U. As a rough model for the paramagnetic state with large persisting 4f-moments several static AFM arrangements were used. The obtained value of spontaneous volume magnetostriction is reasonable, but the sign of the anisotropic magnetostriction is different in LSDA and LSDA+U.
ISSN:	0304-8853
DOI:	10.1016/j.jmmm.2003.12.399