Abstract:
The Green's function method in the tight-binding approximation is used to obtain analytical expressions for the electronic spectra and densities of states for two carbyne structural modifications (cumulene and polyyne). Metal and semiconductor substrates are considered and charge-transfer estimates are deduced. Criteria for the occurrence of a charge-density wave in free-standing and epitaxial carbynes are proposed taking into account the intra- and interatomic Coulomb repulsion. Analytical expressions for the phonon spectrum of free-standing carbyne are presented. The data obtained are compared with the results of numerical calculations performed by other researchers.
This publication is cited in the following 6 articles:
S.Yu. Davydov, O.V. Posrednik, “Interatomic Coulomb repulsion in epitaxial carbon nanostructures on metals: Account of “excitonic” mean values”, Physics Letters A, 474 (2023), 128833
S. Yu. Davydov, “Magnetic states of the zigzag edge of a graphene nanoribbon”, Phys. Solid State, 62:1 (2020), 223–229
S. Yu. Davydov, A. A. Lebedev, P. V. Bulat, A. V. Zubov, “Model estimates of the quantum capacitance of graphene nanostructures”, Tech. Phys. Lett., 46:8 (2020), 733–736
S. Yu. Davydov, “Estimations of the Fermi velocity and effective mass in epitaxial graphene and carbyne”, Tech. Phys. Lett., 45:7 (2019), 650–652
S. Yu. Davydov, “On the decoration of zigzag edges of an epitaxial graphene nanoribbon”, Phys. Solid State, 61:3 (2019), 480–487
S. Yu. Davydov, “Carbon nanostructures on a semiconductor substrate”, Phys. Solid State, 61:6 (2019), 1154–1161