Electronic structure and energy spectrum of two-dimensional ionic-covalence structures based on siliconhydrocarbons, boron nitride, aluminium nitride and aluminium phosphide

Автор: Zhukov S.S., Litinski A.O., Lebedev N.G.

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Химическая физика

Статья в выпуске: 8, 2004 года.

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The molecular cluster model in form of large unit cell and semiempirical computational scheme MNDO were used for the investigation of electronic structure and one-electron state energy spectrum of siliconhydrocarbons, boron nitride, aluminium nitride and aluminium phosphide with defect groups. Particularities of the local states in one electron energy spectrum conditioned by the defect groups were discussed.

Короткий адрес: https://sciup.org/14968535

IDR: 14968535

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