SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 96: Poster Session VII: Poster to Mini-Symposium: Frontiers of electronic-structure theory IV
O 96.7: Poster
Donnerstag, 4. März 2021, 10:30–12:30, P
Soft-mode enhanced type-I superconductivity in LiPd2Ge — •Gabriel Kuderowicz1, Karolina Górnicka2, Elizabeth M. Carnicom3, Kamil Kutorasiński1, Tomasz Klimczuk2, Robert J. Cava3, and Bartłomiej Wiendlocha1 — 1Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Aleja Mickiewicza 30, 30-059 Kraków, Poland — 2Faculty of Applied Physics and Mathematics and Advanced Materials Centre, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland — 3Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
Recently synthesized intermetallic compound LiPd2Ge exhibits superconductivity below Tc=1.96 K. It belongs to the Heusler family which consist of more than 1000 compounds with various kinds of physical properties. Following the discovery of LiPd2Ge we synthesized isostructural and isoelectronic LiPd2Si and LiPd2Sn. In this work we present DFT calculations of electronic structure, phonons and electron-phonon coupling. All three compounds have strong softening of the first acoustic mode. LiPd2Ge has mostly pronounced softening and the highest value of the electron-phonon coupling constant λ=(0.53−0.56) and highest Tc. Therefore, we suggest the correlation between superconductivity and the soft mode. We were looking for sources of phonon instabilities and observed deviations from harmonic potential.