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Impact of the scattering physics on the power factor of complex thermoelectric materials
Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou
We assess the impact of the scattering physics assumptions on the thermoelectric properties of five Co-based p-type half-Heusler alloys by considering full energy-dependent scatter…
DFT study of undoped and As-doped Si nanowires approaching the bulk limit
Chathurangi Kumarasinghe, David R. Bowler
The electronic properties of pure and As-doped Si nanowires with radii up to 9.53 nm are studied using large scale density functional theory (DFT) calculations. We show that, for t…
Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Co-based half-Heuslers
Chathurangi Kumarasinghe, Neophytos Neophytou
Half-Heuslers, an emerging thermoelectric material group, has complex bandstructures with multiple bands that can be aligned through band engineering approaches, giving us an oppor…