2 papers
cond-mat.mtrl-sci2025
Common errors in BoltzTraP-based calculations
Ãven A. Grimenes, Kristian Berland
Boltzmann transport calculations based on band structures computed from first principles play an important role in modern thermoelectric materials research. Among available codes,…
cond-mat.mtrl-sci2025
Thermoelectric transport of strained CsKSb: The role of electron velocities and scattering within extended Fermi surfaces
Ãven A. Grimenes, G. Jeffrey Snyder, Ole M. Løvvik +1
In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsKSb at different compressive strains. This material exhibits a vale…