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.

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.

2013, Racec, Paul N., Goray, Leonid I.

Using the finite volume method we compute within effective mass approximation the single-particle eigenstates for electrons and holes in a InGaAs/GaAs quantum well - nanobridge - quantum dot structure. It is shown that hybrid states appear in this complex system. The interaction between the eigenvalues may be an explanation for the additional photoluminescence peak measured for inverted structures with smaller nanobridge lengths.

2009, Racec, Paul N., Racec, Roxana, Neidhardt, Hagen

We investigate the scattering phenomena in two dimensions produced by a general finite-range nonseparable potential. This situation can appear either in a Cartesian geometry or in a heterostructure with cylindrical symmetry. Increasing the dimensionality of the scattering problem new processes as the scattering between conducting channels and the scattering from conducting to evanescent channels are allowed. For certain values of the energy, called resonance energy, the transmission through the scattering region changes dramatically in comparison with an one-dimensional problem. If the potential has an attractive character even the evanescent channels can be seen as dips of the total transmission. The multi-channel current scattering matrix is determined using its representation in terms of the R-matrix. The resonant transmission peaks are characterized quantitatively through the poles of the current scattering matrix. Detailed maps of the localization probability density sustain the physical interpretation of the resonances. Our formalism is applied to a quantum dot in a two dimensional electron gas and a conical quantum dot embedded inside a nanowire

2008, Racec, Paul N., Racec, Roxana, Neidhardt, Hagen

We investigate the scattering phenomena produced by a general finite range non-separable potential in a multi-channel two-probe cylindrical nanowire heterostructure. The multi-channel current scattering matrix is efficiently computed using the R-matrix formalism extended for cylindrical coordinates. Considering the contribution of the evanescent channels to the scattering matrix, we are able to put in evidence the specific dips in the tunneling coefficient in the case of an attractive potential. The cylindrical symmetry cancels the ''selection rules'' known for Cartesian coordinates. If the attractive potential is superposed over a non-uniform potential along the nanowire, then resonant transmission peaks appear. We can characterize them quantitatively through the poles of the current scattering matrix. Detailed maps of the localization probability density sustain the physical interpretation of the resonances (dips and peaks). Our formalism is applied to a variety of model systems like a quantum dot, a core/shell quantum ring or a double barrier, embedded into the nano-cylinder.