MODEL CALCULATION OF THE ELECTRON ENERGY STUCTURE OF DIAMOND, BN AND BeCN2
Abstract
The electronic energy structure of the row of similar compounds: diamond (C), BN, and BeCN2 has been investigated. It was found for BeCN2 that the top of the valence band is formed by p-states of N, whereas the bottom of the conduction band - by s-states of Be and C. The width of the energy forbidden band Eg in BeCN2 - was estimated. The comparison of the calculated partial and total electron densities of states of diamond and BN with x-ray K-spectra of emission and absorption and with x-ray electron spectra was carried out. The corresponding partial electron states of diamond and BN were also compared with corresponding densities of states of BeCN2.
About the Authors
A.A. LAVRENTYEV
Don State Technical University.
Russian Federation
Russian Federation
B.V. GABRELIAN
Don State Technical University.
Russian Federation
Russian Federation
I.Ya. NIKIFOROV
Don State Technical University.
Russian Federation
Russian Federation
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Review
For citations:
LAVRENTYEV A., GABRELIAN B., NIKIFOROV I. MODEL CALCULATION OF THE ELECTRON ENERGY STUCTURE OF DIAMOND, BN AND BeCN2. Vestnik of Don State Technical University. 2009;9(3):391-401. (In Russ.)
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