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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

Sergey Karabanov ,
Pavel Dyachkov ,
Dmitry Suvorov ,
Gennady Gololobov ,
Dmitry Tarabrin  and
Evgeny Slivkin
Sergey Karabanov*
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
Pavel Dyachkov
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
Dmitry Suvorov
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
Gennady Gololobov
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
Dmitry Tarabrin
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
Evgeny Slivkin
Affiliation:
Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia
*
*(Email: [email protected])
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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.

Keywords

nanostructuresimulationsemiconducting
Type
Articles
Information
MRS Advances , Volume 1 , Issue 19: Nanomaterials and Synthesis , 2016 , pp. 1353 - 1357
Copyright
Copyright © Materials Research Society 2016 

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References

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