Electronic and Magnetic Properties of Mn doped Ge Nanowires

TL;DR

This study uses ab initio calculations to explore the electronic, structural, and magnetic properties of Mn-doped Ge nanowires, revealing their potential for ferromagnetic applications in nanoelectronics.

Contribution

It provides new insights into the stability and magnetic interactions of Mn dopants in Ge nanowires, highlighting their potential for spintronic devices.

Findings

Mn prefers the center of the nanowire for lower formation energy

High-spin magnetic coupling is favored except for nearest neighbors

Ge:Mn nanowires could serve as ferromagnetic quasi-one-dimensional systems

Abstract

Using {\it ab initio} total energy density-functional theory calculations, we investigate the electronic, structural and magnetic properties of Manganese doped Germanium nanowires. The nanowires have been constructed along the [110] direction and the dangling bonds on the surface have been saturated by hydrogen atoms. We observed that the Mn has lower formation energy at the center of the wire when compared to regions close to the surface. The Mn-Mn coupling has lower energy for a high-spin configuration except when they are first nearest neighbors. These results show that Ge:Mn nanowires are potential candidates for ferromagnetic quasi-one dimentional systems.