Related papers: Extended dissipaton theory with application to ada…
The folding of paper, hide, and woven fabric has been used for millennia to achieve enhanced articulation, curvature, and visual appeal for intrinsically flat, two-dimensional materials. For graphene, an ideal two-dimensional material,…
Exciton dynamics, lifetimes and scattering are directly related to the exciton dispersion, or bandstructure. While electron and phonon bandstructures are well understood and can be easily calculated from first principles, the exciton…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
This paper explores the application diffusion maps as graph shift operators in understanding the underlying geometry of graph signals. The study evaluates the improvements in graph learning when using diffusion map generated filters to the…
We develop the theory of heat conductivity in supported graphene, accounting for coherent phonon scattering on disorder induced by an amorphous substrate. We derive spectra for in-plane and out-of-plane phonons in the framework of Green's…
We consider resonant scatterers with large scattering cross-sections in graphene that are produced by a gated disk or a vacancy, and show that a gated ring can be engineered to produce an efficient electron cloak. We also demonstrate that…
We develop spectral theorems for nonautonomous linear difference systems, considering different types of $\mu$-dichotomies, both uniform and nonuniform. In the nonuniform case, intriguing scenarios emerge -- that have been employed but…
We investigate the spectral distribution of the damped wave equation on a compact Riemannian manifold, especially in the case of a metric of negative curvature, for which the geodesic flow is Anosov. The main application is to obtain…
The so-called spin-orbit proximity effect experimentally realized in graphene (G) on several different heavy metal surfaces opens a new perspective to engineer the spin-orbit coupling (SOC) for new generation spintronics devices. Here, via…
Diagrammatic extensions of dynamical mean field theory (DMFT) such as the dynamical vertex approximation (D$\Gamma$A) allow us to include non-local correlations beyond DMFT on all length scales and proved their worth for model calculations.…
Graph signal processing has become an essential tool for analyzing data structured on irregular domains. While conventional graph shift operators (GSOs) are effective for certain tasks, they inherently lack flexibility in modeling…
The electronic structure of pentacene decorated with dipole groups (d-pentacene) and adsorbed onto a graphene substrate has been studied within the density functional theory. Three reference configurations have been considered, namely the…
Based on the quantum kinetic equation for electrons, we theoretically study the quantum multi-photon non-linear absorption of a strong electromagnetic wave (EMW) in two-dimensional graphene. Two cases of the electron scattering mechanism…
The electromagnetic response of graphene, expressed by the dielectric function, and the spectrum of collective excitations are studied as a function of wave vector and frequency. Our calculation is based on the full band structure,…
We derive the steady-state electron distribution function for a semiconductor driven far from equilibrium by the inter-band photoexcitation assumed homogeneous over the nanoscale sample. Our analytical treatment is based on the…
We introduce Extended Density Matrix Embedding Theory (EDMET), a static quantum embedding theory explicitly self-consistent with respect to local two-body physics. This overcomes the biggest practical and conceptual limitation of more…
Dissipaton-equation-of-motion (DEOM) theory [Y. J. Yan, J. Chem. Phys. 140, 054105 (2014)] is an exact and nonperturbative many-particle method for open quantum systems. The existing dissipaton algebra treats also the dynamics of hybrid…
Ab initio density functional theory (DFT) simulations were used to investigate an influence of electric field, parallel to single and multilayer graphene on its electron dispersion relations close to K point. It was shown that for both…
In this paper, we study spectral properties and spectral enclosures for the Gurtin-Pipkin type of integro-differential equations in several dimensions. The analysis is based on an operator function and we consider the relation between the…
We investigate magnetic and charge correlations in graphene by using the formulation of extended dynamical mean-field theory (E-DMFT) for two-sublattice systems. First, we map the average non-local interaction onto the effective static…