Crystal structure, chemical bonding, and physical properties of Heusler phases and endohedral cluster compounds Michal Winiarski , Karolina Górnicka, Kamila Stolecka, Jagoda Budnik, Tomasz Klimczuk Faculty of Applied Physics and Mathematics and Advanced Materials Center, Gdansk University of Technology, A number of heuristic rules have been proposed for the rationalization of the occurence of superconductivity in materials. While inherently limited, these guidelines were in general successful and useful in the search for new superconducting materials. Here I present the results of out recent investigation of the trends in superconductivity in two groups of intermetallic materials: Heusler phases [1-3] and endohedral cluster compounds [4-5] . We studied chemical bonding in these materials by means of molecular orbital theory andcrystal orbital Hamilton population (COHP) analysis.By applying the methods of solid state chemistry we have been able to find correlations between superconducting T c , chemical composition, and electronic structure in these two families, providing some predictions of new candidate superconducting materials [1,3]. References 1. M. J. Winiarski et al., Phys. Rev. B 103 (2021) 214501 2. M. J. Winiarski et al., J. Phys. Chem C 126 (2022)14229–14235 3. K. Górnicka et al., Sci. Rep. 11 (2021) 16517 4. Z. Ryżyńska et al., J. Phys. Chem C 125 (2021) 11294-11299 5. Z. Ryżyńska et al., Chem. Mater. 32 (2020) 3805-3812
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