Theoretical description of cylindrical nano-structures, including pores in semiconductors

• Published in: Physica. E, Low-dimensional systems & nanostructures Low-dimensional systems & nanostructures, 2013-06, Vol.51, p.29-36
• Main Authors: Horley, Paul P., Vorobiev, Yuri, Vieira, Vítor R.
• Format: Article
• Language: English
• Subjects: Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Materials science; Nanoscale materials and structures: fabrication and characterization; Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals; Physics; Quantum wires; Structure of solids and liquids; crystallography
• ISSN: 1386-9477; 1873-1759
• DOI: 10.1016/j.physe.2013.02.005

Cylindrical and prismatic nano-structures (nano-wires and pores) with circular and hexagonal cross-section are studied using mirror boundary conditions to solve the Schrödinger equation in effective mass approximation. In comparison with “quantum billiard” problem, the solution using mirror boundary conditions allows to obtain the results in a much simpler way. It is possible to use even and odd mirror boundary conditions depending on the sign of the wave-function equated in the original and the image points, respectively. The even mirror boundary conditions provides non-vanishing wave-function at the boundary, corresponding to weak confinement allowing quantum tunneling. The odd mirror boundary conditions set wave-function to zero at the boundary, corresponding to a strong confinement. We report on spatial distributions of probability density in cross-section of a cylindrical and prismatic nano-structures, presenting the formulas for the energy of the corresponding quantum states. ► Schrödinger equation was solved for cylindrical and prismatic quantum wells. ► The solution was found using even and odd mirror boundary conditions. ► Particle density distribution was calculated for different quantum states. ► Hexagonal prism has distinct probability density for strong and weak confinements.