166 research outputs found

    Light-matter interaction in nanostructured materials

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    A study of Wigner functions for discrete-time quantum walks

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    We perform a systematic study of the discrete time Quantum Walk on one dimension using Wigner functions, which are generalized to include the chirality (or coin) degree of freedom. In particular, we analyze the evolution of the negative volume in phase space, as a function of time, for different initial states. This negativity can be used to quantify the degree of departure of the system from a classical state. We also relate this quantity to the entanglement between the coin and walker subspaces.Comment: 16 pages, 8 figure

    Ill-defined Topological Phases in Dispersive Photonic Crystals

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    In recent years there has been a great interest in topological materials and in their fascinating properties. Topological band theory was initially developed for condensed matter systems, but it can be readily applied to arbitrary wave platforms with little modifications. Thus, the topological classification of optical systems is usually regarded as being mathematically equivalent to that of condensed matter systems. Surprisingly, here we find that both the particle-hole symmetry and the dispersive nature of nonreciprocal photonic materials may lead to situations where the usual topological methods break-down and the Chern topology becomes ill-defined. It is shown that due to the divergence of the density of photonic states in plasmonic systems the gap Chern numbers can be non-integer notwithstanding that the relevant parametric space is compact. In order that the topology of a dispersive photonic crystal is well defined, it is essential to take into account the nonlocal effects in the bulk-materials. We propose two different regularization methods to fix the encountered problems. Our results highlight that the regularized topologies may depend critically on the response of the bulk materials for large k

    Thermodynamic Limits of Electronic Systems

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    We review thermodynamic limits and scaling limits of electronic structure models for condensed matter. We discuss several mathematical ways to implement these limits in three models of increasing chemical complexity and mathematical difficulty: (1) Thomas-Fermi like models; (2) Hartree-Fock like models; and (3) Kohn-Sham density functional theory models

    Fast numerical methods for waves in periodic media

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    Periodic media problems widely exist in many modern application areas like semiconductor nanostructures (e.g.\ quantum dots and nanocrystals), semi-conductor superlattices, photonic crystals (PC) structures, meta materials or Bragg gratings of surface plasmon polariton (SPP) waveguides, etc. Often these application problems are modeled by partial differential equations with periodic coefficients and/or periodic geometries. In order to numerically solve these periodic structure problems efficiently one usually confines the spatial domain to a bounded computational domain (i.e.\ in a neighborhood of the region of physical interest). Hereby, the usual strategy is to introduce so-called \emph{artificial boundaries} and impose suitable boundary conditions. For wave-like equations, the ideal boundary conditions should not only lead to well-posed problems, but also mimic the perfect absorption of waves traveling out of the computational domain through the artificial boundaries. In the first part of this chapter we present a novel analytical impedance expression for general second order ODE problems with periodic coefficients. This new expression for the kernel of the Dirichlet-to-Neumann mapping of the artificial boundary conditions is then used for computing the bound states of the Schr\"odinger operator with periodic potentials at infinity. Other potential applications are associated with the exact artificial boundary conditions for some time-dependent problems with periodic structures. As an example, a two-dimensional hyperbolic equation modeling the TM polarization of the electromagnetic field with a periodic dielectric permittivity is considered. In the second part of this chapter we present a new numerical technique for solving periodic structure problems. This novel approach possesses several advantages. First, it allows for a fast evaluation of the Sommerfeld-to-Sommerfeld operator for periodic array problems. Secondly, this computational method can also be used for bi-periodic structure problems with local defects. In the sequel we consider several problems, such as the exterior elliptic problems with strong coercivity, the time-dependent Schr\"odinger equation and the Helmholtz equation with damping. Finally, in the third part we consider periodic arrays that are structures consisting of geometrically identical subdomains, usually called periodic cells. We use the Helmholtz equation as a model equation and consider the definition and evaluation of the exact boundary mappings for general semi-infinite arrays that are periodic in one direction for any real wavenumber. The well-posedness of the Helmholtz equation is established via the \emph{limiting absorption principle} (LABP). An algorithm based on the doubling procedure of the second part of this chapter and an extrapolation method is proposed to construct the exact Sommerfeld-to-Sommerfeld boundary mapping. This new algorithm benefits from its robustness and the simplicity of implementation. But it also suffers from the high computational cost and the resonance wave numbers. To overcome these shortcomings, we propose another algorithm based on a conjecture about the asymptotic behaviour of limiting absorption principle solutions. The price we have to pay is the resolution of some generalized eigenvalue problem, but still the overall computational cost is significantly reduced. Numerical evidences show that this algorithm presents theoretically the same results as the first algorithm. Moreover, some quantitative comparisons between these two algorithms are given

    Fast numerical methods for waves in periodic media

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    Periodic media problems widely exist in many modern application areas like semiconductor nanostructures (e.g. quantum dots and nanocrystals), semi-conductor superlattices, photonic crystals (PC) structures, meta materials or Bragg gratings of surface plasmon polariton (SPP) waveguides, etc. Often these application problems are modeled by partial differential equations with periodic coefficients and/or periodic geometries. In order to numerically solve these periodic structure problems efficiently one usually confines the spatial domain to a bounded computational domain (i.e. in a neighborhood of the region of physical interest). Hereby, the usual strategy is to introduce so-called artificial boundaries and impose suitable boundary conditions. For wave-like equations, the ideal boundary conditions should not only lead to w ell-posed problems, but also mimic the perfect absorption of waves traveling out of the computational domain through the artificial boundaries ..

    Extended study for unitary fermions on a lattice using the cumulant expansion technique

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    A recently developed lattice method for large numbers of strongly interacting nonrelativistic fermions exhibits a heavy tail in the distributions of correlators for large Euclidean time {\tau} and large number of fermions N, which only allows the measurement of ground state energies for a limited number of fermions using standard techniques. In such cases, it is suggested that measuring the log of the correlator is more efficient, and a cumulant expansion of this quantity can be exactly related to the correlation function. The cumulant expansion technique allows us to determine the ground state energies of up to 66 unpolarized unitary fermions on lattices as large as 72×\times14^3, and up to 70 unpolarized unitary fermions trapped in a harmonic potential on lattices as large as 72×\times64^3. We have also improved our lattice action with a Galilean invariant form for the four-fermion interaction, which results in predictive volume scaling of the lowest energy of three fermions in a periodic box and in good agreement of our results for N \leq 6 trapped unitary fermions with those from other benchmark calculations.Comment: 7 pages, 6 figures, Presented at 29th International Symposium on Lattice Field Theory (Lattice2011), Squaw Valley, Lake Tahoe, CA, USA, 10-16 July 201

    First Principles Calculations of Electronic Excitations in 2D Materials

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