Versatile roles of elemental doping in the optimization of thermoelectric performance of R-GeTe studied by first principles calculations

Puntos clave

• The aim is to investigate how elemental doping influences the thermoelectric performance of GeTe-based materials.
• Utilized first principles calculations to analyze material properties.
• Assessed the effects of various elemental dopants on carrier concentration.
• Investigated changes in lattice thermal conductivity due to doping.
• Elemental doping significantly optimizes the carrier concentration in GeTe.
• Doping helps to suppress lattice thermal conductivity, enhancing overall performance.
• Identified specific dopants that maximize thermoelectric efficiency.