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Self-consistent electronic structure of Si, Ge and diamond by the LMTO-ASA method

✍ Scribed by D. Glötzel; B. Segall; O.K. Andersen

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
318 KB
Volume
36
Category
Article
ISSN
0038-1098

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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