Theory of the electronic structure of dilute bismide and bismide-nitride alloys of GaAs: Tight-binding and k.p models

The addition of dilute concentrations of bismuth (Bi) into GaAs to form GaBiAs alloys results in a large reduction of the band gap energy Eg accompanied by a significant increase of the spin-orbit-splitting energy (delta_SO), leading to an Eg < delta_SO regime for ~10% Bi composition which is technologically relevant for the design of highly efficient photonic devices. The quaternary alloy GaBiNAs offers further flexibility for band gap tuning, because both nitrogen and bismuth can independently induce band gap reduction. This work reports sp3s* tight binding and 14-band k.p models for the study of the electronic structure of GaBiAs and GaBiNAs alloys. Our results are in good agreement with the available experimental data.Comment: 2 pages, 1 figur

Origin of non-linear piezoelectricity in III-V semiconductors: Internal strain and bond ionicity from hybrid-functional density functional theory

We derive first- and second-order piezoelectric coefficients for the zinc-blende III-V semiconductors, {Al,Ga,In}-{N,P,As,Sb}. The results are obtained within the Heyd-Scuseria-Ernzerhof hybrid-functional approach in the framework of density functional theory and the Berry-phase theory of electric polarization. To achieve a meaningful interpretation of the results, we build an intuitive phenomenological model based on the description of internal strain and the dynamics of the electronic charge centers. We discuss in detail first- and second-order internal strain effects, together with strain-induced changes in ionicity. This analysis reveals that the relatively large importance in the III-Vs of non-linear piezoelectric effects compared to the linear ones arises because of a delicate balance between the ionic polarization contribution due to internal strain relaxation effects, and the contribution due to the electronic charge redistribution induced by macroscopic and internal strain

Theory of improved spectral purity in index patterned Fabry-Perot lasers

The spectral purity of a ridge waveguide Fabry-Perot laser can be improved by patterning the effective refractive index seen by an optical mode propagating in the cavity. Here we present a transmission matrix calculation to first order in the effective index step from which we derive the threshold condition as a function of cavity mode index. This approach enables us to solve the inverse problem relating the index pattern along the cavity to the threshold gain modulation in wavenumber space. Quasiperiodic index patterns are constructed, which lead to improved spectral purity at a predetermined wavelength. (c) 2005 American Institute of Physics. (DOI:10.1063/1.1919389

Built-in field reduction in InGaN/GaN quantum dot molecules

We use a tight-binding model to study the electronic structure of InGaN/GaN quantum dot molecules grown along the c-axis. This analysis is carried out as a function of the barrier thickness between the two non-identical dots. Our results show that the built-in field is effectively reduced in systems of coupled nitride quantum dots, leading to an increased spatial overlap of electron and hole wave functions compared to an isolated dot. This finding is in agreement with experimental data reported in the literature and is directly related to the behavior of the built-in potential outside an isolated dot. (C) 2011 American Institute of Physics. (doi:10.1063/1.3665069

Unification of the band anticrossing and cluster-state models of dilute nitride semiconductor alloys

We show that a quantitative description of the conduction band in Ga(In)NAs is obtained by combining the experimentally motivated band anticrossing model with detailed calculations of nitrogen cluster states. The unexpectedly large electron effective mass values observed in many GaNAs samples are due to hybridization between the conduction band edge E- nitrogen cluster states close to the band edge. Similar effects explain the difficulty in observing the higher-lying E+ level at low N composition. We predict a decrease of effective mass with hydrostatic pressure in many GaNAs samples

Atomistic tight-binding study of electronic structure and interband optical transitions in GaBixAs1-x/GaAs quantum wells

Large-supercell tight-binding calculations are presented for GaBixAs1-x/GaAs single quantum wells (QWs) with Bi fractions x of 3.125% and 12.5%. Our results highlight significant distortion of the valence band states due to the alloy disorder. A large full-width-half-maximum (FWHM) is estimated in the ground state interband transition energy (approximate to 33 meV) at 3.125% Bi, consistent with recent photovoltage measurements for similar Bi compositions. Additionally, the alloy disorder effects are predicted to become more pronounced as the QW width is increased. However, they are less strong at the higher Bi composition (12.5%) required for the design of temperature-stable lasers, with a calculated FWHM of approximate to 23.5 meV at x = 12.5%. (C) 2014 AIP Publishing LLC

Optical matrix element in InAs/GaAs quantum dots: Dependence on quantum dot parameters

We present a theoretical analysis of the optical matrix element between the electron and hole ground states in InAs/GaAs quantum dots (QDs) modeled with a truncated pyramidal shape. We use an eight-band k center dot p Hamiltonian to calculate the QD electronic structure, including strain and piezoelectric effects. The ground state optical matrix element is very sensitive to variations in both the QD size and shape. For all shapes, the matrix element initially increases with increasing dot height, as the electron and hole wave functions become more localized in k space. Depending on the QD aspect ratio and on the degree of pyramidal truncation, the matrix element then reaches a maximum for some dot shapes at intermediate size beyond which it decreases abruptly in larger dots, where piezoelectric effects lead to a marked reduction in electron-hole overlap. (c) 2005 American Institute of Physics. (DOI:10.1063/1.2130378

Theoretical study of Auger recombination in a GaInNAs 1.3 mu m quantum well laser structure

We present a theoretical study of Auger recombination processes in a GaInNAs/GaAs quantum well structure designed for 1.3 mum laser emission. The calculations are based on a 10x10 k.p model, incorporating valence, conduction, and nitrogen-induced bands. The Auger transition matrix elements are calculated explicitly, without introducing any further approximations into the Hamiltonian used. We consider two main Auger recombination channels: the process when the energy released from the electron-hole recombination causes electron excitation (CHCC process) and the process with hole excitation to the split-off valence band (CHHS process). The CHHS process is shown to be dominant. Good agreement is found when comparing the calculated Auger rates with experimental values of the Auger contribution to the threshold current of GaInNAs quantum well lasers. (C) 2004 American Institute of Physics. (DOI: 10.1063/1.1664033