The band gap problem: the accuracy of the Wien2k code confronted

This paper is a continuation of our detailed study [Phys. Rev. B 86, 195106 (2012)] of the performance of the recently proposed modified Becke-Jonhson potential (mBJLDA) within the known Wien2k code. From the 41 semiconductors that we have considered in our previous paper to compute the band gap value, we selected 27 for which we found low temperature experimental data in order to pinpoint the relative situation of the newly proposed Wien2k(mBJLDA) method as compared to other methods in the literature. We found that the GWA gives the most accurate predictions. The Wien2k (mBJLDA) code is slightly less precise, in general. The Hybrid functionals are less accurate, on the overall. The GWA is definitely the most precise existing method nowadays. In 88% of the semiconductors considered the error was less than 10%. Both, the GWA and the mBJLDA potential, reproduce the band gap of 15 of the 27 semiconductors considered with a 5% error or less. An extra factor to be taken into account is the computational cost. If one would seek for precision without taking this factor into account, the GWA is the method to use. If one would prefer to sacrifice a little the precision obtained against the savings in computational cost, the empirical mBJLDA potential seems to be the appropriate method. We include a graph that compares directly the performance of the best three methods, according to our analysis, for each of the 27 semiconductors studied. The situation is encouraging but the problem is not yet a closed issue.Comment: 8 pages, 1 figur

Scattering of Elastic Waves in a Quasi-one-dimensional Cavity: Theory and Experiment

We study the scattering of torsional waves through a quasi-one-dimensional cavity both, from the experimental and theoretical points of view. The experiment consists of an elastic rod with square cross section. In order to form a cavity, a notch at a certain distance of one end of the rod was grooved. To absorb the waves, at the other side of the rod, a wedge, covered by an absorbing foam, was machined. In the theoretical description, the scattering matrix S of the torsional waves was obtained. The distribution of S is given by Poisson's kernel. The theoretical predictions show an excellent agreement with the experimental results. This experiment corresponds, in quantum mechanics, to the scattering by a delta potential, in one dimension, located at a certain distance from an impenetrable wall

Electromagnetic prompt response in an elastic wave cavity

A rapid, or prompt response, of an electromagnetic nature, is found in an elastic wave scattering experiment. The experiment is performed with torsional elastic waves in a quasi-one-dimensional cavity with one port, formed by a notch grooved at a certain distance from the free end of a beam. The stationary patterns are diminished using a passive vibration isolation system at the other end of the beam. The measurement of the resonances is performed with non-contact electromagnetic-acoustic transducers outside the cavity. In the Argand plane, each resonance describes a circle over a base impedance curve which comes from the electromagnetic components of the equipment. A model, based on a variation of Poisson's kernel is developed. Excellent agreement between theory and experiment is obtained.Comment: 4 pages, 5 figure

Absorption and Direct Processes in Chaotic Wave Scattering

Recent results on the scattering of waves by chaotic systems with losses and direct processes are discussed. We start by showing the results without direct processes nor absorption. We then discuss systems with direct processes and lossy systems separately. Finally the discussion of systems with both direct processes and loses is given. We will see how the regimes of strong and weak absorption are modified by the presence of the direct processes.Comment: 8 pages, 4 figures, Condensed Matter Physics (IV Mexican Meeting on Mathematical and Experimental Physics), Edited by M. Martinez-Mares and J. A. Moreno-Raz