2 papers
cond-mat.mtrl-sci2024
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni +1
Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conducti…
cond-mat.mtrl-sci2024
Seebeck coefficient of ionic conductors from Bayesian regression analysis
Enrico Drigo, Stefano Baroni, Paolo Pegolo
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo th…