Density functional theory for the stabil
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A.D.J. Haymet
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Article
📅
1985
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Elsevier Science
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English
⚖ 226 KB
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 slabil