Phonon softening and lattice thermal conductivity in SnSe thermoelectrics: temperature and dopant dependence
Thermoelectric materials can contribute to be part of the alternative for a sustainable world, as they present the advantage of converting temperature differences into electrical power, mainly through the scavenging of waste heat with thermoelectric generators. A key limitation of thermoelectrics is their lattice thermal conductivity. Our goal is to understand and decrease the lattice contribution to the heat transport. Control of the phonon system, and phonon scattering, is crucial in improving thermoelectrics, and this is where neutrons can provide valuable insight unobtainable by other means. We will study the phonon spectrum of SnSe, a recently discovered promising thermoelectric, with doping/alloying, and with temperature, to compare with our neutron diffraction results and our estimates of relevant phonon modes based on analysis of the atomic displacement parameters. In particular, we are interested in an apparent rattling motion of Sn in a Se cage in the structure, which would place SnSe in the glass of phonon-glass electron-crystal thermoelectrics.
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N. M. Nemes; ALONSO Jose Antonio; FERNANDEZ DIAZ Maria Teresa; GAINZA MARTIN Javier; KOZA Michael Marek; MARTINEZ PENA Jose Luis and SERRANO Federico. (2019). Phonon softening and lattice thermal conductivity in SnSe thermoelectrics: temperature and dopant dependence. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-01-508
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