Pressure effects on the dipole oscillator strength, polarizability, and mean excitation energy of a hydrogen impurity under cylindrical confinement: off-center axis effect

Abstract

We study the electronic properties of a hydrogen atom under cylindrical confinement as obtained by a numerical solution to the Schrödinger equation by means of a finite-differences approach. In particular we calculate the dipole oscillator strength, static and dynamic dipole polarizabilities, as well as the mean excitation energy as a function of the position of the hydrogen impurity along the symmetry axis for the case of a ‘standard’ cylindrical confinement cavity and several confinement conditions. The effect of the displacement on the electronic properties is reflected in the change of the wave-function as the impurity approaches the cylinder potential lid produced by the surrounding confinement environment. We find that the intensity of the main dipole transition, , is reduced as the atom is displaced off-center along the symmetry axis, reaching a minimum half-way between the center of the cylinder and the lid and then increasing when at the cylinder lid. In the process some other transition lines become more intense with a maximum also at half-way between the center and the cylinder lid. We find that the label assignment on the excitation transitions changes as the impurity is displaced along the symmetry axis due to the polarizability of the impurity electronic cloud. Results for the static and dynamic polarizability for the confined impurity as well as the mean excitation energy for the cases of penetrable and impenetrable confinement are presented. We find that the static polarizability increases as the impurity approaches the cylinder lid meanwhile the mean excitation energy is reduced.