Influence of Spin-Orbit Coupling on Electronic Structure of Polyyne and Cumulene Carbynes
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Inuence of Spin-Orbit Coupling on Electronic Structure of Polyyne and Cumulene Carbynes Sergey Karabanov, Pavel Dyachkov, Dmitry Suvorov, Gennady Gololobov, Dmitry Tarabrin and Evgeny Slivkin MRS Advances / FirstView Article / July 2016, pp 1 - 5 DOI: 10.1557/adv.2016.158, Published online: 24 February 2016
Link to this article: http://journals.cambridge.org/abstract_S2059852116001584 How to cite this article: Sergey Karabanov, Pavel Dyachkov, Dmitry Suvorov, Gennady Gololobov, Dmitry Tarabrin and Evgeny Slivkin Inuence of Spin-Orbit Coupling on Electronic Structure of Polyyne and Cumulene Carbynes. MRS Advances, Available on CJO 2016 doi:10.1557/adv.2016.158 Request Permissions : Click here
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MRS Advances © 2016 Materials Research Society DOI: 10.1557/adv.2016.158
Influence of Spin-Orbit Coupling on Electronic Structure of Polyyne and Cumulene Carbynes Sergey Karabanov, Pavel Dyachkov, Dmitry Suvorov, Gennady Gololobov, Dmitry Tarabrin, Evgeny Slivkin Ryazan State Radio Engineering University 59/1 Gagarina St., Ryazan 390005, Russia 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. INTRODUCTION Carbine is an allotropic form of the carbon based on the sp-hybridization of carbon atoms. It consists of carbon fragments having triple (С≡С–С≡С) or double (=С=С=С=С=) cumulative bonds. It can be linear or forms cycle structures which can be semiconductors or metals depending on the type of chemical bonds between carbon atoms. Electronic state in carbines can be described as adequate under the rotation of electrons about an axis of the carbon chain and ground state is orbitally degenerated due to the rotary (cylindrical) geometry of carbon chains (carbines). The resulting orbital magnetic moment can be summed up with the spin magnetic moment of an electron that should lead to splitting of the degenerate state. Due to the linear geometry of carbines, electronic states located close to Fermi level can be described as adequate under the rotation of electrons about an axis of the carbine along-track direction of the hour hand and in the opposite direction [1, 2]. The magnetic moment arising under such motion of electrons does not depend for its absolute value on direction of the rotation and is oriented along the axis of a nanotube in the opposite directions, and ground state of the system is characterized by the twofold orbital degeneration. Electron has not only an electric charge but also a spin intrinsic angular moment as if it rotates about
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