Search Results (6)

In this work, a theoretical study on the combined effects of an external electric field and a nonresonant intense laser field on the electronic properties of a quantum dot with a truncated cone shape is presented. This quantum dot was made from a type-II CdTe/CdSe heterostructure (core/shell). Using the effective mass approximation with parabolic bands and the finite element method, the Schrödinger equation was solved to analyze the confined states of electron, hole, and exciton. This study demonstrates the potential of combining nonresonant intense laser and electric fields to control confinement properties in semiconductor nanodevices, with potential applications in optoelectronics and quantum mechanics-related technologies. Full article

Vertically coupled quantum dots have emerged as promising structures for various applications such as single photon sources, entangled quantum pairs, quantum computation, and quantum cryptography. We start with a structure composed of two vertically coupled GaAs conical quantum dots surrounded by Al${}_x$Ga${}_{1-x}$, and the effects of the applied electric and magnetic fields on the energies are evaluated using the finite element method. In addition, the effects are evaluated by including the presence of a shallow-donor impurity. The electron binding energy behavior is analyzed, and the effects on the photoionization cross-section are studied. Calculations are carried out in the effective mass and parabolic conduction band approximations. Our results show a notable dependence on the electric and magnetic fields applied to the photoionization cross-section. In general, it has been observed that both the electric and magnetic fields are useful parameters for inducing blueshifts of the resonant photoionization cross-section structure, which is accompanied by a drop in its magnitude. Full article

The current work used the effective mass approximation conjoined with the finite element method to study the exciton states in a conical GaAs quantum dot. In particular, the dependence of the exciton energy on the geometrical parameters of a conical quantum dot has been studied. Once the one-particle eigenvalue equations have been solved, both for electrons and holes, the available information on energies and wave functions is used as input to calculate exciton energy and the effective band gap of the system. The lifetime of an exciton in a conical quantum dot has been estimated and shown to be in the range of nanoseconds. In addition, exciton-related Raman scattering, interband light absorption and photoluminescence in conical GaAs quantum dots have been calculated. It has been shown that with a decrease in the size of the quantum dot, the absorption peak has a blue shift, which is more pronounced for quantum dots of smaller sizes. Furthermore, the interband optical absorption and photoluminescence spectra have been revealed for different sizes of GaAs quantum dot. Full article

Considering the increasing number of experimental results in the manufacturing process of quantum dots (QDs) with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with nontrivial geometries require large computational capacities, the finite element method (FEM) becomes an incredibly attractive tool for modeling semiconductor QDs. In the current article, we used FEM to obtain the first twenty-six probability densities and energy values for the following GaAs structures: rectangular, spherical, cylindrical, ellipsoidal, spheroidal, and conical QDs, as well as quantum rings, nanotadpoles, and nanostars. The results of the numerical calculations were compared with the exact analytical solutions and a good deviation was obtained. The ground-state energy dependence on the element size was obtained to find the optimal parameter for the investigated structures. The abovementioned calculation results were used to obtain valuable insight into the effects of the size quantization’s dependence on the shape of the QDs. Additionally, the wavefunctions and energies of spherical CdSe/CdS quantum dots were obtained while taking into account the diffusion effects on the potential depth with the use of a piecewise Woods–Saxon potential. The diffusion of the effective mass and the dielectric permittivity was obtained with the use of a normal Woods–Saxon potential. A structure with a quasi-type-II band alignment was obtained at the core size of ≈2.2 nm This result is consistent with the experimental data. Full article

The term ‘mathematical chemistry’ is mostly associated with applications of graph theory in topological issues of 3D chemical structures, thought of as a collection of atoms as dots and bonds as lines. We propose here new directions in this field, coming from the side of theoretical chemistry approached with modern computational tools. Possible challenges are proposed in using ancillary tools of differential geometry for examining the potential energy surfaces of certain specific structural prototypes. Concretely, we describe here the geodesics on the surfaces related to the potential energy functions of the so-called E⊗e Jahn–Teller effect, a spontaneous symmetry-breaking phenomenon also known as a case of conical intersection. To illustrate the case, first-principles (ab initio) quantum chemical calculations are performed on the cyclo-propenyl molecular radical C₃H₃. Full article

Using the effective mass approximation in a parabolic two-band model, we studied the effects of the geometrical parameters, on the electron and hole states, in two truncated conical quantum dots: (i) GaAs-(Ga,Al)As in the presence of a shallow donor impurity and under an applied magnetic field and (ii) CdSe–CdTe core–shell type-II quantum dot. For the first system, the impurity position and the applied magnetic field direction were chosen to preserve the system’s azimuthal symmetry. The finite element method obtains the solution of the Schrödinger equations for electron or hole with or without impurity with an adaptive discretization of a triangular mesh. The interaction of the electron and hole states is calculated in a first-order perturbative approximation. This study shows that the magnetic field and donor impurities are relevant factors in the optoelectronic properties of conical quantum dots. Additionally, for the CdSe–CdTe quantum dot, where, again, the axial symmetry is preserved, a switch between direct and indirect exciton is possible to be controlled through geometry. Full article