Combining neutron diffraction, X-ray diffraction and advanced materials modelling to gain insights into the thermoelectric compounds CePdSb and LaPdSb

DIPC Seminars

Speaker: Matthias Gutmann
Rutherford Appleton Laboratory, ISIS Facility, UK
When: 2023/09/15
12:00
Place: Hybrid Seminar: Donostia International Physics Center
Host: Felix Fernandez-Alonso
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$Combining neutron diffraction, X-ray diffraction and advanced materials modelling to gain insights into the thermoelectric compounds CePdSb and LaPdSb$

CePdSb and LaPdSb are potential thermoelectric compounds. Additionally, CePdSb shows magnetic ordering and is classed as a Kondo compound.
Here, we use a combination of neutron diffraction, X-ray diffraction and diffuse scattering to revise the crystal structure. In particular, the compounds are found
to be non-centrosymmetric rather than centrosymmetric involving a structural distortion. Whilst DFT is able to account for this revised crystal structure in LaPdSb, only the more advanced DFT + eDMFT method gives the correct physics in CePdSb.

Zoom: https://dipc-org.zoom.us/j/96798824852
Youtube: https://youtube.com/live/7oez-uMo9KM