Abstract
In the paper, the results of calculations of electron dispersion and electronic state density in the valence band of one-dimensional carbon chains with attached hydrogen by the semiempirical method of strong bond are presented. It is demonstrated that the position of maxima in the valent state density on the energy axis changes as a function of the concentration of hydrogen attached to the chains. The influence of the chain conformation is investigated. A comparison with the experimental photoelectron spectra is carried out. Agreement between the calculated and experimental spectra is satisfactory.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 46–50, December, 2006.
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Voinkova, I.V., Baitinger, E.M. Special features of valent states in one-dimensional carbon systems with hydrogen. Russ Phys J 49, 1314–1319 (2006). https://doi.org/10.1007/s11182-006-0260-0
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DOI: https://doi.org/10.1007/s11182-006-0260-0