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
✦ LIBER ✦
Setting the boundary conditions by the potential shift in the self-consistent field (Xα-scattered wave) cluster calculations
✍ Scribed by V. I. Polyakov; E. N. Anisochkina
- Book ID
- 110677639
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1997
- Tongue
- English
- Weight
- 514 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0022-4766
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