Electron-energy spectrum of one-electronic states of the wireframe alicyclic nanostructures with the local substitution defects in

Автор: Litinski A.O., Stebenkov A.M., Rastova N.A.

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Химическая физика

Статья в выпуске: 11, 2007 года.

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The nonempirical Hartry-Fock-Rutaan procedure in the STO-3G basis including the electrons correlation according to the Moller-Plesset perturbation theory of the second order to calculate the one-electronic energy states of the carbon-, silicon- and germanium - hydrogens nanoparticles was applied (the increasing of their sizes makes them become corresponded tetrahedral semiconductors structures). The peculiarities of the energy spectrum of one-electronic states of the investigated nanoparticles caused by the defects of substitution the central atom the element from the third or fifth group of the same period were discussed.

Короткий адрес: https://sciup.org/14968604

IDR: 14968604

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