A model for self-consistent cluster calc
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B. Cartling; B. Roos; U. Wahlgren
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Article
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1973
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Elsevier Science
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English
โ 451 KB
It is shown that essential Features of the band structure of a. covalent crystal, as silicon, emerge in the level scheme of a cluster calculation utilizing the SCF Xa scattered wave method. 'The model cluster was terminated by a layer of saturating atoms to take care or the dangling bonds and the po