Abstract
is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of . Selected area electron diffraction, x-ray powder diffraction, and further Rietveld refinement confirms that trigonal crystallizes in the noncentrosymmetric space group, and pyrite-type crystallizes in the space group. A series of samples was obtained for in the trigonal structure. These compounds become superconducting where the critical temperature increases from mK for up to K for . Furthermore, we calculate the electronic band structure using the obtained structure parameters. The calculated density of states shows a minimum for the stoichiometric compound at the Fermi level. These findings warrant further research using a broader array of experimental techniques, as well as on the effect of the substitution on the nontrivial band structure.
1 More- Received 25 February 2020
- Revised 2 October 2020
- Accepted 5 November 2020
DOI:https://doi.org/10.1103/PhysRevMaterials.4.124202
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