Four-phonon scattering and multi-valley characters induce high thermoelectric performance in TlAgSe: A first-principles investigation

Key Points

• This research explores how four-phonon scattering and multi-valley characteristics affect the thermoelectric performance of TlAgSe.
• Utilized first-principles computational methods to analyze TlAgSe
• Examined thermal conductivity and electrical properties
• Investigated the impact of phonon scattering on performance
• TlAgSe displayed significantly lower thermal conductivity
• Four-phonon scattering contributed to enhanced thermoelectric efficiency
• Multi-valley character improved electronic transport properties