Spin-Orbit and Zeeman Effects on the Electronic Properties of Single Quantum Rings: Applied Magnetic Field and Topological Defects.

Within the framework of effective mass theory, we investigate the effects of spin-orbit interaction (SOI) and Zeeman splitting on the electronic properties of an electron confined in GaAs single quantum rings. Energies and envelope wavefunctions in the system are determined by solving the Schrödinger equation via the finite element method. First, we consider an inversely quadratic model potential to describe electron confining profiles in a single quantum ring. The study also analyzes the influence of applied electric and magnetic fields. Solutions for eigenstates are then used to evaluate the linear inter-state light absorption coefficient through the corresponding resonant transition energies and electric dipole matrix moment elements, assuming circular polarization for the incident radiation. Results show that both SOI effects and Zeeman splitting reduce the absorption intensity for the considered transitions compared to the case when these interactions are absent. In addition, the magnitude and position of the resonant peaks have non-monotonic behavior with external magnetic fields. Secondly, we investigate the electronic and optical properties of the electron confined in the quantum ring with a topological defect in the structure; the results show that the crossings in the energy curves as a function of the magnetic field are eliminated, and, therefore, an improvement in transition energies occurs. In addition, the dipole matrix moments present a non-oscillatory behavior compared to the case when a topological defect is not considered.

Optical Properties in a ZnS/CdS/ZnS Core/Shell/Shell Spherical Quantum Dot: Electric and Magnetic Field and Donor Impurity Effects.

A theoretical analysis of optical properties in a ZnS/CdS/ZnS core/shell/shell spherical quantum dot was carried out within the effective mass approximation. The corresponding Schrödinger equation was solved using the finite element method via the 2D axis-symmetric module of COMSOL-Multiphysics software. Calculations included variations of internal dot radius, the application of electric and magnetic fields (both oriented along z-direction), as well as the presence of on-center donor impurity. Reported optical properties are the absorption and relative refractive index change coefficients. These quantities are related to transitions between the ground and first excited states, with linearly polarized incident radiation along the z-axis. It is found that transition energy decreases with the growth of internal radius, thus causing the red-shift of resonant peaks. The same happens when the external magnetic field increases. When the strength of applied electric field is increased, the opposite effect is observed, since there is a blue-shift of resonances. However, dipole matrix moments decrease drastically with the increase of the electric field, leading to a reduction in amplitude of optical responses. At the moment impurity effects are activated, a decrease in the value of the energies is noted, significantly affecting the ground state, which is more evident for small internal radius. This is reflected in an increase in transition energies.

Phosphorene and phosphorene oxides as a toxic gas sensor materials: a theoretical study.

A systematic study of the adsorption of several harmful gases (CO2, NO, SO2, NH3y H2S) onto black phosphorene and three different black phosphorene oxides (BPO) is carried out through density functional theory calculations. In general, it is shown that BPOs are more suitable adsorbents than pure black phosphorene. Smaller values of adsorption energy correspond to CO2molecules, whilst those exhibiting larger ones are NH3, H2S, NO y SO2. It is found that SO2shows the greater difference in electronic charge transfer as well as the longer time of recovery among all species, being an electron acceptor molecule. Besides, it is revealed that physisorption induces changes of different order in the electronic, magnetic and optical responses of phosphorene systems involved. Greater changes in the electronic structure are produced in the case of NO adsorption. In that case, semiconductor nature and magnetization features of black phosphorene band structure become significantly modified. Moreover, a notorious effect of an externally applied electric field on the molecule adsorption onto BPOs has been detected. In accordance, adsorption energy changes with the applied electric field direction, in such a way that the higher value is favored through an upwards-directed orientation of NO y SO2adsorbates. Results presented could help to enhancing the understanding of BPOs as possible candidates for applications in gas sensing.

Electronic structure of vertically coupled quantum dot-ring heterostructures under applied electromagnetic probes. A finite-element approach.

We theoretically investigate the electron and hole states in a semiconductor quantum dot-quantum ring coupled structure, inspired by the recent experimental report by Elborg and collaborators (2017). The finite element method constitutes the numerical technique used to solve the three-dimensional effective mass equation within the parabolic band approximation, including the effects of externally applied electric and magnetic fields. Initially, the features of conduction electron states in the proposed system appear discussed in detail, under different geometrical configurations and values of the intensity of the aforementioned electromagnetic probes. In the second part, the properties of an electron-hole pair confined within the very kind of structure reported in the reference above are investigated via a model that tries to reproduce as close as possible the developed profile. In accordance, we report on the energies of confined electron and hole, affected by the influence of an external electric field, revealing the possibility of field-induced separate spatial localization, which may result in an indirect exciton configuration. In relation with this fact, we present a preliminary analysis of such phenomenon via the calculation of the Coulomb integral.

Pyramidal core-shell quantum dot under applied electric and magnetic fields.

We have theoretically investigated the electronic states in a core/shell pyramidal quantum dot with GaAs core embedded in AlGaAs matrix. This system has a quite similar recent experimental realization through a cone/shell structure [Phys. Status Solidi-RRL 13, 1800245 (2018)]. The research has been performed within the effective mass approximation taking into account position-dependent effective masses and the presence of external electric and magnetic fields. For the numerical solution of the resulting three-dimensional partial differential equation we have used a finite element method. A detailed study of the conduction band states wave functions and their associated energy levels is presented, with the analysis of the effect of the geometry and the external probes. The calculation of the non-permanent electric polarization via the off-diagonal intraband dipole moment matrix elements allows to consider the related optical response by evaluating the coefficients of light absorption and relative refractive index changes, under different applied magnetic field configurations.

Donor impurity energy and optical absorption in spherical sector quantum dots.

The properties of the conduction band energy states of an electron interacting with a donor impurity center in spherical sector-shaped GaAs-Al0.3Ga0.7As quantum dots are theoretically investigated. The study is performed within the framework of the effective mass approximation through the numerical solution of the 3D Schrödinger equation for the envelope function via the finite element method. The modifications undergone by the spectrum due to the changes in the conical structure geometry (radius and apical angle) as well as in the position of the donor atom are discussed. With the information regarding electron states the linear optical absorption coefficient associated with transition between confined energy levels is evaluated and its features are discussed. The comparison of results obtained within the considered model with available experimental data in GaAs truncated-whisker-like quantum dots shows very good agreement. Besides, our simulation leads to identify the lowest energy photoluminescence peak as donor-related, instead of being associated to acceptor atoms, as claimed after experimental measurement (Hiruma et al. (1995) [14]). Also, a checking of our numerical approach is performed by comparing with analytical solutions to the problem of a spherical cone-shaped GaN with infinite confinement and donor impurity located at the cone apex. Coincidence is found to be remarkable.

Electronic states in GaAs-(Al,Ga)As eccentric quantum rings under nonresonant intense laser and magnetic fields.

The features of the electron energy spectrum in eccentric two-dimensional GaAs-AlGaAs quantum rings of circular shape are theoretically investigated taking into account the effect of externally applied magnetic and intense laser fields. Analytical expressions for the laser-dressed confining potential in this kind of quantum ring geometry are reported for the first time. Finite element method is used to solve the resulting single-particle effective mass two-dimensional partial differential equation. It is shown that the allowed level spectrum is greatly influence by the external probe as well as by the breaking of geometric symmetry related to the changes in eccentricity. In presence of an intense laser field, the conduction band confining profile suffers strong modifications along the structure, with an additional contribution to symmetry breaking. These modifications of electronic quantum states reflect in the intraband optical absorption. Accordingly, the features of the intraband transitions are discussed in detail, revealing the significant influence of the magnetic field strength and laser field intensity and polarization, together with eccentricity, in the allowing of ground-to-excited states transitions and their corresponding intensities.

Effects of Geometry on the Electronic Properties of Semiconductor Elliptical Quantum Rings.

The electronic states in GaAs-AlxGa1-xAs elliptically-shaped quantum rings are theoretically investigated through the numerical solution of the effective mass band equation via the finite element method. The results are obtained for different sizes and geometries, including the possibility of a number of hill-shaped deformations that play the role of either connected or isolated quantum dots (hills), depending on the configuration chosen. The quantum ring transversal section is assumed to exhibit three different geometrical symmetries - squared, triangular and parabolic. The behavior of the allowed confined states as functions of the cross-section shape, the ring dimensions, and the number of hills-like structures are discussed in detail. The effective energy bandgap (photoluminescence peak with electron-hole correlation) is reported as well, as a function of the Al molar fraction.

Electron Raman Scattering and Raman Gain in Pyramidal Semiconductor Quantum Dots.

The Raman scattering related with conduction band states in semiconductor pyramidal quantum dots is theoretically investigated. The electron Raman differential cross section and Raman gain coefficient are calculated making use of analytically determined quantum states. The energy spectrum is obtained within the effective mass approximation. The features of the Raman differential cross section are discussed in terms of their dependence on the changes of the quantum dot geometry. The variation of the Raman gain coefficient as a function of the quantum dot size and shape is also analyzed.

Effects of Hydrostatic Pressure and Electric Field on the Electron-Related Optical Properties in GaAs Multiple Quantum Well.

The properties of the electronic structure of a finite-barrier semiconductor multiple quantum well are investigated taking into account the effects of the application of a static electric field and hydrostatic pressure. With the information of the allowed quasi-stationary energy states, the coefficients of linear and nonlinear optical absorption and of the relative refractive index change associated to transitions between allowed subbands are calculated with the use of a two-level scheme for the density matrix equation of motion and the rotating wave approximation. It is noticed that the hydrostatic pressure enhances the amplitude of the nonlinear contribution to the optical response of the multiple quantum well, whilst the linear one becomes reduced. Besides, the calculated coefficients are blueshifted due to the increasing of the applied electric field, and shows systematically dependence upon the hydrostatic pressure. The comparison of these results with those related with the consideration of a stationary spectrum of states in the heterostructure-obtained by placing infinite confining barriers at a conveniently far distance-shows essential differences in the pressure-induced effects in the sense of resonant frequency shifting as well as in the variation of the amplitudes of the optical responses.

Donor Impurity States in Semiconductor Zincblende Nitride Quantum Systems as a Source of Nonlinear Optical Response.

The optical absorption and the optical rectification coefficients associated to hydrogenic impurity interstate transitions in zincblende GaN-based nanostructures of the quantum wire type are investigated. The system is assumed to have cylindrical shape and the influence of external tuning probes such as hydrostatic pressure and static electric fields is particularly taken into account. The electron states are obtained within the effective mass approximation, via the exact diagonalization of the donor-impurity Hamiltonian with parabolic confinement. The nonlinear optical coefficients are calculated using a nonperturbative solution of the density-matrix Bloch equation. Our results show that the resonance-related features of the optical response become shifted in the frequency range of the incident radiation due to the effect of the hydrostatic pressure, the strength of the applied field and the change in the impurity center position.