Related papers: Defect engineering of the electronic transport thr…
Electron transport characteristics through molecular wires are studied by using the Green's function formalism. Parametric calculations are performed based on the tight-binding model to investigate the transport properties through the…
Combination of electrical conductivity and optical transparency in the same material -- known to be a prerogative of only a few oxides of post-transition metals, such as In, Sn, Zn and Cd -- manifests itself in a distinctive band structure…
We have investigated theoretically the conductance of a Normal-Superconductor point-contact in the tunnel limit and analyzed the quantum interference effects originating from the scattering of quasiparticles by point-like defects.…
First principles density functional theory (DFT) investigation of native interstitials and the associated self-diffusion mechanisms in {\alpha}-Cr2O3 reveals that interstitials are more mobile than vacancies of corresponding species. Cr…
We implement a bottom-up multiscale approach for the modeling of defect localization in $C_{6n^2}H_{6n}$ islands, i.e. graphene quantum dots with a hexagonal symmetry, by means of density functional and semiempirical approaches. Using the…
Odd-frequency pairing is an unconventional type of Cooper pairing in superconductors related to the frequency dependence of the corresponding anomalous Green function. We show by a combination of analytical and numerical methods that…
Electron transport properties through single conjugated molecules sandwiched between two non-superconducting electrodes are studied by the use of Green's function technique. Based on the tight-binding model, we do parametric calculations to…
We present a detailed theory of transport through line junctions formed by counterpropagating single-branch fractional-quantum-Hall edge channels having different filling factors. Intriguing transport properties are exhibited when strong…
The chapter generalizes results on influence of uniaxial strain and adsorption on the electron states and charge transport or localization in graphene with different configurations of imperfections (point defects): resonant (neutral)…
We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an AC bias--by combining a solution for the Green functions in the time domain with electronic structure information coming from ab…
We present results of electronic structure calculations for well-relaxed Au/benzene-1,4-dithiol/Au molecular contacts, based on density functional theory and the generalized gradient approximation. Electronic states in the vicinity of the…
We present first-principles based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d (Ti through Cu) and 4d (Zr through Ag) substitutional impurities. We find that the half-metallicity of CrO2…
Atomic intercalation in two dimensional (2D) layered materials can engineer the electronic structure at the atomic scale, bringing out tunable physical and chemical properties which are quite distinct in comparison with pristine one. Among…
We report systematic studies of structural, microstructural and transport properties of Y1-xCaxBa2Cu3O7-d bulk samples with 0.20 x 0.0. The partial substitution of Ca2+ at Y3+ site in YBa2Cu3O7-d leads towards slightly overdoped regime,…
Graphene is believed to be an excellent candidate material for next-generation electronic devices. However, one needs to take into account the nontrivial effect of metal contacts in order to precisely control the charge injection and…
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…
Cubic hafnia (HfO$_2$) is of great interest for a number of applications in electronics because of its high dielectric constant. However, common defects in such applications degrade the properties of hafina. We have investigated the…
We consider a quantum dot coupled to two BCS superconductors with same gap energies $\Delta$. The transport properties are investigated by means of infinite-$U$ noncrossing approximation. In equilibrium density of states, Kondo effect shows…
The two-dimensional electron liquid, at the (001) interface between band insulators {L}a{A}l{O}$_3$ and {S}r{T}i{O}$_3$, undergoes Lifshitz transition as the interface is doped with carriers. At a critical carrier density, two new orbitals…
We report on a photo-induced transient state of YBa2Cu2O6+x in which transport perpendicular to the Cu-O planes becomes highly coherent. This effect is achieved by excitation with mid-infrared optical pulses, tuned to the resonant frequency…