Hydrogen-like Impurity States in beta-Ga2O3/(AlxGa1-x)(2)O-3 Core/Shell Nanostructures: Comparison between Nanorods and Nanotubes

The binding energy of an off-center hydrogen-like impurity in an ultra-wide band gap beta-Ga2O3/(AlxGa1 x)(2)O-3 core/shell nanostructure is studied using a variational method combined with a finite-difference algorithm. Four impurity states with the radial and axial quantum numbers being 0 or 1 in two kinds of core/shell nanostructures, including nanorods and double-walled nanotubes, are taken into account in the numerical calculations. The variation trends in binding energy corresponding to the four impurity states as functions of structural dimension and Al composition differ in nanorods and nanotubes when the impurity moves toward the interface between the Ga2O3 and (AlxGa1 x)(2)O-3 layers. The quantum confinement due to the structural geometry has a considerable influence on the probability density of the impurity states as well as the impurity binding energy. The numerical results will pave the way toward theoretical simulation of the electron states in rapidly developing beta-Ga2O3 low-dimensional material systems for optoelectronic device applications.

Automated summary

The binding energy of an off-center hydrogen-like impurity in an ultra-wide band gap β-Ga2O3/(AlxGa1 x)(2)O-3 core/shell nanostructure is studied. The influence of structural dimension, Al composition, and quantum confinement on the impurity states and binding energy is investigated. The results provide theoretical insights for the development of optoelectronic devices using β-Ga2O3 low-dimensional material systems.