An analytical study on electronic density of states and conductance of typical nanowires

Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions

“…[30][31][32] The orbital rule has been revisited as a quantum interference effect on single molecular conductance. [42][43][44][45][46][47][48][49][50][51][52][53][54][55][56][57] Since the quantum interference effect leads to a significant difference in current (i.e., the constructive/destructive interference) through a molecular junction, the presence of the quantum interference effect was firstly elucidated from the viewpoint of current magnitude. 41,[58][59][60][61] In addition to the indirect observation of the quantum interference effect, a direct observation based on differential conductance was recently performed.…”

Even-odd effects in the electrical conductance of a three terminals device composed by linear chains: An analytical approach

“…Without loss of generality, we will consider the imaginary part as a constant and a symmetric coupling in all three terminals, i.e., ΓX = Γ, for X = A, B and C and adopt Γ = 0.1 eV 23 . Also, we will consider t =1 eV and the site energy and the Fermi energy equal zero, λX =EF = 0 eV (X = A, B, C, 1, 2, 3, 4), due to the inherent electron-hole symmetry of the model with a single electron per site 15 . Furthermore, to get a better understand of the transmission function (T(E)) for each studied system, we also plotted the local density of states (LDOS) given by 20 1 ( ) ( )…”

“…A straightforward method to calculate spatially resolved features in quantum transport theory through a linear chain described by a nearest neighbor tight-binding approximation, consists in using Landauer-Büttiker formalism based on Green´s function techniques together with a real-space renormalization approach, the so called, decimation procedure 15,17,19,20 . In this approach, a three terminal linear chain can be transformed into three effective sites, each one with a renormalized on-site energy and with an effective inter-site coupling as showed in figure 2 for system E1.…”

“…In special, we will be interested in the transmission near the Fermi level, in the zero-temperature limit 2,14 . To do this, we will make an analytical study of coherent quantum transport, using decimation techniques [15][16][17] in a tight binding approach together with an energy independent model of the self-energy 18,19 , so as to reduce the systems into a renormalized three terminal sites. In what follows, in section 2 we will discuss the characteristics of the models showed in Fig.…”

Quantum conductance of silicon-doped carbon wire nanojunctions

“…Our theoretical method is based on the appropriate phase matching of the Bloch states of ideal leads to the local states in the scattering region. In this approach the electronic properties of the system are described in the framework of the tight-binding formalism (TB) which is widely exploited for electronic transport calculations [54], [60], [61], [62], [63], and for simulating the STM images of nanostructures [64], [65]. In particular, we employ the appropriate Slater-Koster [66] type Hamiltonian parameters calculated on the basis of the Harrison tight-binding theory (HTBT) [67].…”