Related papers: The two dimensional Hubbard model:a theoretical to…
In this methodology focused paper we scrutinize the application of the band-coherent Boltzmann equation approach to calculating the conductivity of chiral particles. As the ideal testing ground we use the two-band kinetic Hamiltonian with…
We report on the direct numerical measurements of the conductivity of graphene monolayer. Our numerical simulations are performed in the effective lattice field theory with noncompact 3 + 1-dimensional Abelian lattice gauge fields and 2 +…
Electronic energy-eigen-states of graphene in an orthogonal electromagnetic field with relative magnitude beta=E/vf*B>=1 or in a pure electric field are obtained by a differential-equation method. Gaussian wave packets of probability…
A Hubbard-type model is derived from the microscopic Schr\"odinger equation. We found that additional terms describing direct two-electron transitions must be added to the standard Hubbard Hamiltonian. Such a Hamiltonian generates…
In this work we continue the investigation of different approaches to conception and modeling of composite materials. The global method we focus on, is called 'stochastic homogenization'. In this approach, the classical deterministic…
This paper reviews some selected approaches to the description of transport properties, mainly electroconductivity, in crystalline and disordered metallic systems. A detailed qualitative theoretical formulation of the electron transport…
We introduce a Hubbard model as the simple quantum generalization of the classical capacitance circuit model to study semiconductor quantum-dot spin qubits. We prove theoretically that our model is equivalent to the usual capacitance…
Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them suitable for probing of ultrathin electrical double…
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-density electronic devices with potential applications ranging…
Using the semi-classical Boltzmann theory, we calculate the conductivity as function of the carrier density. As usually, we include the scattering from charged impurities, but conclude that the estimated impurity density is too low in order…
We use voxel deep neural networks to predict energy densities and functional derivatives of electron kinetic energies for the Thomas-Fermi model and Kohn-Sham density functional theory calculations. We show that the ground-state electron…
Despite the successes of machine learning methods in physical sciences, prediction of the Hamiltonian, and thus electronic properties, is still unsatisfactory. Here, based on graph neural network architecture, we present an extendable…
We present a new formulation to calculate the electric conductance of mesoscopic conductors by utilizing the singular value decomposition, which is a mathematical technique to manipulate matrices. Our formulation is useful in treating…
In this paper, a continuum mechanics model of graphene is proposed, and its analytical solution is derived. Graphene is modeled as a doubly-periodic thin elastic plate with a hexagonal cell having a circular hole at the hexagon center.…
This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of methods and capabilities in the area, we focus on published work…
We developed a combined atomistic-continuum hierarchical multiscale approach to explore the effective thermal conductivity of graphene laminates. To this aim, we first performed molecular dynamics simulations in order to study the heat…
The recent observation of superconductivity in proximity to an insulating phase in twisted bilayer graphene (TBG) at small `magic' twist angles has been linked to the existence of nearly-flat bands, which make TBG a fresh playground to…
We study the band gap in some semi-conducting polymers with two models: H\"uckel molecular orbital theory and the so-called free electron model. The two models are directly related to spectral theory on combinatorial and metric graphs.
Graphene's near-field radiative heat transfer is determined from its electrical conductivity, commonly modeled using the local Kubo and Drude formulas. In this letter, we analyze the non-locality of graphene's electrical conductivity using…
We present a few ways of using conformal maps in the reconstruction of two-dimensional conductivities in electrical impedance tomography. First, by utilizing the Riemann mapping theorem, we can transform any simply connected domain of…