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Type: Report × Subject: Schrödinger operator ×

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Now showing 1 - 4 of 4
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    Eigensolutions of the Wigner-Eisenbud problem for a cylindrical nanowire within finite volume method
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Racec, Paul N.; Schade, Stanley; Kaiser, Hans-Christoph
    We present a finite volume method for computing a representative range of eigenvalues and eigenvectors of the Schrödinger operator on a three dimensional cylindrically symmetric bounded domain with mixed boundary conditions. More specifically, we deal with a semiconductor nanowire which consists of a dominant host material and contains heterostructure features such as double-barriers or quantum dots. The three dimensional Schrödinger operator is reduced to a family of two dimensional Schrödinger operators distinguished by a centrifugal potential. Ultimately, we numerically treat them by means of a finite volume method. We consider a uniform, boundary conforming Delaunay mesh, which additionally conforms to the material interfaces. The 1/r singularity is eliminated by approximating r at the vertexes of the Voronoi boxes. We study how the anisotropy of the effective mass tensor acts on the uniform approximation of the first K eigenvalues and eigenvectors and their sequential arrangement. There exists an optimal uniform Delaunay discretization with matching anisotropy. This anisotropic discretization yields best accuracy also in the presence of a mildly varying scattering potential, shown exemplarily for a nanowire resonant tunneling diode. For potentials with 1/r singularity one retrieves the theoretically established first order convergence, while the second order convergence is recovered only on uniform grids with an anisotropy correction.
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    Convergence of a finite volume scheme to the eigenvalues of a Schrödinger operator
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2007) Koprucki, Thomas; Eymard, Robert; Fuhrmann, Jürgen
    We consider the approximation of a Schrödinger eigenvalue problem arising from the modeling of semiconductor nanostructures by a finite volume method in a bounded domain $OmegasubsetR^d$. In order to prove its convergence, a framework for finite dimensional approximations to inner products in the Sobolev space $H^1_0(Omega)$ is introduced which allows to apply well known results from spectral approximation theory. This approach is used to obtain convergence results for a classical finite volume scheme for isotropic problems based on two point fluxes, and for a finite volume scheme for anisotropic problems based on the consistent reconstruction of nodal fluxes. In both cases, for two- and three-dimensional domains we are able to prove first order convergence of the eigenvalues if the corresponding eigenfunctions belong to $H^2(Omega)$. The construction of admissible meshes for finite volume schemes using the Delaunay-Voronoï method is discussed. As numerical examples, a number of one-, two- and three-dimensional problems relevant to the modeling of semiconductor nanostructures is presented. In order to obtain analytical eigenvalues for these problems, a matching approach is used. To these eigenvalues, and to recently published highly accurate eigenvalues for the Laplacian in the L-shape domain, the results of the implemented numerical method are compared. In general, for piecewise $H^2$ regular eigenfunctions, second order convergence is observed experimentally.
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    Quantum transport in cylindrical semiconductor nanowires with constrictions
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2013) Racec, Paul N.
    The energy dependence of the tunneling coeffcient for a cylindrical semiconductor nanowire, i.e. a one-dimensional electron gas, with one or two constrictions is studied. Using the R-matrix formalism the localization probabilities at the resonant energies can be computed. They give decisive information about the physical meaning of the resonant peaks and dips that appear. The nanowire with two constrictions yields a well-defined system for the experimental evidence of the quasi-bound states of the evanescent channels. Clearly marked dips due to them should appear in the linear conductance at low temperatures.
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    Scattering matrices and Weyl functions
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2006) Behrndt, Jussi; Malamud, Mark M.; Neidhardt, Hagen
    For a scattering system consisting of two selfadjoint extensions of a symmetric operator A with finite deficiency indices, the scattering matrix and the spectral shift function are calculated in terms of the Weyl function associated with the boundary triplet for A* and a simple proof of the Krein-Birman formula is given. The results are applied to singular Sturm-Liouville operators with scalar- and matrix-valued potentials, to Dirac operators and to Schroedinger operators with point interactions.