Electron Transport in SiGe Alloy Nanowires in the Ballistic Regime from First-Principles

Silicon-germanium alloying is emerging as one of the most promising strategies to engineer heat transport at the nanoscale. Here, we perform first-principles electron transport calculations to assess at what extent such approach can be followed without worsening the electrical conduction properties of the system, providing then a path toward high-efficiency thermoelectric materials.