Related papers: Numerical Simulation of Two Dimensional Electron T…
Transport measurements are a powerful way to probe the electronic structure of quantum materials, but the information they contain is often convoluted. Yet, in particular for simple low-energy fermiologies, and by combining linear and…
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…
We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron-transport calculations. Although first-principles calculations based on the real-space finite-difference method are…
A systematic method of calculating the dynamical conductivity tensor in a general multiband electronic model with strong boson-mediated electron-electron interactions is described. The theory is based on the exact semiclassical expression…
The advances in the growth techniques provide numerous scope to explore the possibilities of new 2D materials for potential applications. With the aid of first-principle calculations we show that 2D Na can be a new addition to the family of…
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…
We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…
Two drift-diffusion models for the quantum transport of electrons in graphene, which account for the spin degree of freedom, are derived from a spinorial Wigner equation with relaxation-time or mass- and spin-conserving matrix collision…
We extend the Wigner-Weyl-Moyal phase-space formulation of quantum mechanics to general curved configuration spaces. The underlying phase space is based on the chosen coordinates of the manifold and their canonically conjugate momenta. The…
Wigner's quasi-probability distribution function in phase-space is a special (Weyl) representation of the density matrix. It has been useful in describing quantum transport in quantum optics; nuclear physics; decoherence (eg, quantum…
Phase-space representations as given by Wigner functions are a powerful tool for representing the quantum state and characterizing its time evolution in the case of infinite-dimensional quantum systems and have been widely used in quantum…
We have developed efficient numerical algorithms for solving 3D steady-state Poisson-Nernst-Planck (PNP) equations with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are…
We derive new equations using the mixed-frame approach for one- and two-dimensional (axisymmetric) time-dependent radiation transport and the associated couplings with matter. Our formulation is multi-group and multi-angle and includes…
In the Kirchhoff model of a biopolymer, conformation dynamics can be described in terms of solitary waves, for certain special cross-section asymmetries. Applying this to the problem of electron transport, we show that the quantum effective…
The trace of an arbitrary product of quantum operators with the density operator is rendered as a multiple phase space integral of the product of their Weyl symbols with the Wigner function. Interspersing the factors with various evolution…
Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…
The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…
The new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner representation of quantum statistical mechanics has been developed.…
We establish covariant semiclassical transport equations of massive spin-1/2 particles which are generated by the quantum kinetic equation modified by enthalpy current dependent terms. The purpose of modification is to take into account the…
We develop a linear theory of electron transport for a system of two identical quantum wires in a wide range of the wire length L, unifying both the ballistic and diffusive transport regimes. The microscopic model, involving the interaction…