Related papers: An efficient method for computing the electronic t…
Thermoelectric transport involving an arbitrary number of terminals is discussed in the presence of a magnetic field breaking time-reversal symmetry within the linear response regime using the Landauer-B\"uttiker formalism. We derive a…
We propose a divide-and-conquer algorithm to find recursively the Scattering matrix of general tight-binding structures. The Scattering matrix allows a direct calculation of transport properties in mesoscopic systems by using the Landauer…
In a recent series of scanning probe experiments, it became possible to visualize local electron flow in a two-dimensional electron gas. In this paper, a Green's function technique is presented that enables efficient calculation of the…
We calculate the electronic and thermal transport properties of devices based on finite graphene antidot lattices (GALs) connected to perfect graphene leads. We use an atomistic approach based on the $\pi$-tight-binding model, the Brenner…
Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method…
We study ballistic transport in periodically gated bilayer graphene as a candidate for a 2D electronic metamaterial. Our calculations use the equilibrium Green function formalism and take into account quantum corrections to charge density…
The non-equilibrium Green's function (NEGF) method with B\"uttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the…
We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…
We present an ongoing development of an existing code for calculating ground-state, steady-state, and transient properties of many-particle systems. The development involves the addition of the full four-index two electron integrals, which…
To address the robustness of the transport gap induced by locally strained regions in graphene nanostructures, the effect of disorder and smoothness of the interface region is investigated within the Landauer-B\"uttiker formalism. The…
The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the…
We present a solution to the problem of AC current partition in a multi-probe mesoscopic conductor within the nonequilibrium Green's function formalism. This allows the derivation of dynamic conductance which is appropriate for…
A Drude-Boltzmann theory is used to calculate the transport properties of bilayer graphene. We find that for typical carrier densities accessible in graphene experiments, the dominant scattering mechanism is overscreened Coulomb impurities…
We present an efficient {\it ab initio} approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation time approximation, band-resolved electric…
We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Green's functions of a superconductor. Broken translational invariance of any type…
In this study, we propose a recursive approach to study the transport properties of atomic wires. It is based upon a real-space block-recursion technique with Landauer's formula being used to express the conductance as a scattering problem.…
We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…
In this research work, roll-to-roll chemical vapor deposited graphene device electronic transport properties are benchmarked to elucidate and comprehend mobility degradation in the real-world commercial application of graphene devices.…
The rising interest in Dirac materials, condensed matter systems where low-energy electronic excitations are described by the relativistic Dirac Hamiltonian, entails a need for microscopic effective models to analytically describe their…
A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an…