Free-Standing Si and Ge, and Ge/Si Core-Shell Semiconductor Nanowires

Abstract

The properties of free-standing silicon and germanium nanowires oriented along the [110] direction are studied using dierent rst principles methods. We show the corrections due to quasi-particles to the band structures obtained using the local-density approximation. The formation energies of B and P doped nanowires are calculated, both in the absence and presence of dangling bond defects and we link these to experimental results. Furthermore, we report on the phonon properties of pure Si and Ge nanowires, as well as Ge/Si core-shell nanowires, and discuss the dierences between them.

Electron–acoustic-phonon interaction in core/shell Ge/Si and Si/Ge nanowires

“…[21][22][23][24][25] Also, it is important to remark that the core/shell wire structures are useful for optical applications 26,27 and for quantum computing engineering with spin qubits. 28,29 Several works have been devoted to obtain the acoustic phonon dispersion in wires and core/shell nanowires using both ab initio calculations 30,31 and phenomenological continuum approaches (see Refs. 18, 32-34 and references there in).…”