Related papers: Derivation of line shape function in the optical c…
Using Linear Response Theory, with appropriate wave functions and energies from perturbation method, the absorption profiles can be calculated for all three classes of mixed-valence systems as defined by Robin and Day : Class III…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
Cubic silicon carbide phonon thermal conductivity has been calculated using anharmonic phonon analysis. The atomic interaction model was built using displacement-force data obtained with the High Efficiency Configuration Space Sampling…
In practical implementations of density-functional theory, the only term where an orbital description is needed is the kinetic one. Even this term in principle depends on the density only, but its explicit form is unknown. We provide a…
We apply dynamical mean field theory to study a prototypical model that describes charge ordering in the presence of both electron-lattice interactions and intersite electrostatic repulsion between electrons. We calculate the optical and…
We present a numerical method for the accurate and efficient simulation of strongly localized light sources, such as quantum dots, embedded in dielectric micro-optical structures. We apply the method in order to optimize the photon…
Motivated by the recent experimental discovery of strongly surface-plane-dependent superconductivity at surfaces of KTaO$_3$ single crystals, we calculate the electron-phonon coupling strength, $\lambda$, of doped KTaO$_3$ along the…
We propose a new 2D shape decomposition method based on the short-cut rule. The short-cut rule originates from cognition research, and states that the human visual system prefers to partition an object into parts using the shortest possible…
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or the electronic band structure. The KS-DFT method leads to…
We present a convergent and constraint-preserving numerical discretization of a mathematical model for the dynamics of a liquid crystal subjected to an electric field. This model can be derived from the Oseen-Frank director field theory,…
This paper proposes a new method for differentiating through optimal trajectories arising from non-convex, constrained discrete-time optimal control (COC) problems using the implicit function theorem (IFT). Previous works solve a…
The Kubo formula for the electrical conductivity is rewritten in terms of a sum of Drude-like contributions associated to the exact eigenstates of the interacting system, each characterized by its own frequency-dependent relaxation time.…
Expanding on our former hypothesis that, in the current information age, teaching physics should become more intuition-based and aiming at pattern recognition skills, we present multiple examples of qualitative methods in condensed matter…
Understanding, optimizing, and controlling the optical absorption process, exciton gemination, and electron-hole separation and conduction in low dimensional systems is a fundamental problem in materials science. However, robust and…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
This paper is devoted to a Radon-type transform arising in Photoacoustic Tomography that uses integrating line detectors. We consider two situations: when the line detectors are tangent to the boundary of a cylindrical domain and when the…
We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion…
A discussion on the electrical conductivity of the quark-gluon plasma as determined by lattice QCD is given. After a reminder of basic definitions and expectations, various methods for spectral reconstruction are reviewed, including the use…
We present a semi-analytic and asymptotically exact solution to the problem of phonon-induced decoherence in a quantum dot-microcavity system. Particular emphasis is placed on the linear polarization and optical absorption, but the approach…
The optical conductivity contains relevant information on the properties of correlated electron systems. In infinite dimensions, where dynamical mean field theory becomes exact, vertex corrections can be neglected and the conductivity…