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LCAO calculations of surface electronic structure of zinc-blende-type GaN(100)

✍ Scribed by B Stankiewicz; L Jurczyszyn; R Kucharczyk; M Stȩślicka


Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
314 KB
Volume
48
Category
Article
ISSN
0042-207X

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✦ Synopsis


Layer resolved density of states has been calculated for N-and Ga-terminated gallium nitride (100) surfaces, using the semiempirical LCAO method with self-consistently correctedparameters for the surfaces. Surface states on both N-and Ga-terminated surfaces have been found. Localization properties of these states have also been examined.


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LDA᎐LCAO molecular orbital calculations were carried out on various clusters modeling Ž . a tungsten tip and an Al 100 surface interaction. The surface is depicted by Al x Ž . Ž aggregates x varying from 5 to 66 while the tip is modeled by W clusters y s y . 1, 5, 10, 14 . Electronic structures were