Electron transport of carbon atoms sequence in two-band model

摘要

The electron quantum transport of a linear chain of carbon atoms between two semi-infinite carbon leads has been investigated using the nearest neighbor tight-binding approximation of the Harrison's model and the Landauer-Buttiker formalism. The analytical results of band structure of the chain and the self-energies due to leads have been obtained by solving the discretized form of the Schrodinger's equation. Based on the formulation of the multi-atomic orbital approach in the Harrison's model, the electronic band structure, density of states, electron transmission probability and current-voltage curves are discussed. The results show that the sp(x)-hybridized carbon chain with equivalent double bonds exhibits a conductive behavior. Studying the effect of length increase (the number of atoms) on the density of states and transmission probability of carbon chains, an evident even-odd behavior is observed at the Fermi level. Finally, it is found that as the temperatures of the leads increase, the shape of the sharp step of current-voltage curves smoothens.