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New two diemensional structures nanoribbon including phosphorus and germanium atoms are introduced for the nanoelectronic applications. Under various bias voltages, the electronic transport in the systems have been studied within the…
Based on the non-equilibrium Green's function (NEGF) coupled with density function theory (DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to calculate the transient current of molecular devices under a…
Zigzag phosphorene nanoribbons have quasi-flat band edge modes entirely detached from the bulk states. We analytically study the electronic transport through such edge states in the presence of a localized defect for semi-infinite and…
The quantum Hall effect in Graphene nano-ribbons (GNR) is investigated with the non-equilibrium Green s function (NEGF) based quantum transport model in the ballistic regime. The nearest neighbor tight-binding model based on pz orbital…
We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime,…
We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with…
We discuss the general form of the transmission spectrum through a molec- ular junction in terms of the Green function of the isolated molecule. By introducing a tight binding method, we are able to translate the Green func- tion properties…
The energy-dependent Andreev reflection eigenvalues determine the transport properties of normal-superconducting systems. We evaluate the eigenvalue density to get an insight into formation of resonant electron-hole transport channels. The…
We developed a microscopic approach to calculate the sample-to-sample fluctuations of transmission distribution in disordered conductors. This bridges between Green's function and random matrix theories of quantum transport. The results…
High-doping induced Urbach tails and band gap narrowing play a significant role in determining the performance of tunneling devices and optoelectronic devices such as tunnel field-effect transistors (TFETs), Esaki diodes and light-emitting…
{\it Ab initio} computational methods for electronic transport in nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed a flexible and efficient algorithm for evaluating $I$-$V$ characteristics of…
We develop a non-perturbative formulation based on the Green-function quantization method, that can describe spontaneous parametric down-conversion in the high-gain regime in nonlinear optical structures with arbitrary amount of loss and…
Using a Green's function formalism we derive analytical expressions for the electronic transmittance through a benzene ring. To motivate the approach we first solve the resonant level system and then extend the method to the benzene case.…
Using the nonequilibrium Green's function (NEGF) formalism, we propose a microscopic theory for near-field heat transfer between charged metal plates focusing on the Coulomb interactions. Tight-binding models for the electrons are coupled…
Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties, such as the local density of electrons and local current,…
The quasi-stationary nonequilibrium distribution function of an independent electron gas interacting with a medium, which is at local thermal equilibrium, can be obtained by entropy production rate minimization, subject to constraints of…
Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…
The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method. When molecular energy levels are away from the Fermi…
We describe how to apply the recursive Green's function method to the computation of electronic transport properties of graphene sheets and nanoribbons in the linear response regime. This method allows for an amenable inclusion of several…
Recently it has been experimentally shown that a graphene nanoribbon (GNR) can be obtained by unzipping a carbon nanotube (CNT). This makes it possible to fabricate all-carbon heterostructures that have a unique interface between a CNT and…