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Density functional theory for the stability of icosahedral quasicrystals

✍ Scribed by A.D.J. Haymet

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 226 KB
Volume: 122
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80230-x

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✦ Synopsis

We present a densiry functional theory for icqsahcdral '-qua~sic~s~als", a su-uc~ure posrulared as thar of the orienrarionally ordered Mn-AI alloy observed by Shechtmnn. Blech. Grakts and Cahn. The prssenr theory has no adjustable or unknown parameters. Explicit formulae are presenled for the slabiliry of rhe ordered phase, its density. and the entropy change on formation. All these quantiries are shown 10 be delermined. lo lirst order. by dx smmz~urc fxtor of the corresponding liquid

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