AI Article Synopsis
- - A new nonstoichiometric compound, ZrPtSb, has been created using arc-melting and has a distinct crystal structure characterized by a hexagonal arrangement and specific lattice parameters.
- - The structure includes a unique PtSb slab with Pt-Pt bonds and features three types of Zr atoms that help pack the Pt and Sb together tightly.
- - Electronic and electrical transport studies indicate that ZrPtSb shows metallic properties at very low temperatures, due to strong bonding interactions and an optimized electronic structure from partial Zr occupancy.
Article Abstract
A nonstoichiometric ternary antimonide, ZrPtSb, with a new structure type (24), has been synthesized via arc-melting. Its crystal structure was determined by single-crystal X-ray diffraction with hexagonal space group 6/ and lattice parameters = 4.391(3) Å, = 30.53(2) Å, and = 509.7(8) Å. It features the unique PtSb slab with Pt-Pt bonds and is reminiscent to hexagonal diamond substructures. Three different Zr atoms, occupying three different sites, aid in the close-packing of the Pt and Sb atoms. Electronic structure calculations show the half occupancy of one Zr site creates a pseudogap at the Fermi level and optimizes the Pt-Sb bonding interactions. This enhances the electronic stability and accounts for the very narrow phase width observed for this nonstoichiometric compound. Furthermore, strong Zr-Pt and Zr-Sb interactions play a crucial role in the chemical bonding of the title compound. Electrical transport measurements show metallic behavior of this compound down to 2 K, consistent with the band structure calculations.
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| http://dx.doi.org/10.1021/acs.inorgchem.9b01170 | DOI Listing |
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