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Influence of Spin-Orbit Coupling on Electronic Structure of Polyyne and Cumulene Carbynes
Published online by Cambridge University Press: 24 February 2016
Abstract
The present paper has suggested a new non-observational method to calculate electronic structure of carbynes taking into consideration the influence of the spin-orbital coupling. The method is demonstrated by calculations of the structure splitting at the Fermi level in cumulene and polyyne carbynes having semiconductor and metallic electronic structure correspondingly. These couplings result in 2 - 3 meV gaps.
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- Copyright © Materials Research Society 2016