Solid Solutions PdTe1- xBix (x < 0.8) with the NiAs Structure in the Pd-Bi-Te System

Three solid solutions in the Pd-Bi-Te system were obtained by high-temperature ampoule synthesis from the elements at 700 degrees C. The crystal structures of the solid solutions were determined using powder diffraction data by the full-profile Rietveld method. The solid solutions PdTe0.33Bi0.67 (a = 4.19816(8) angstrom, c = 5.6861(1) angstrom), PdTe0.5Bi0.5 (a = 4.18888(9) angstrom, c = 5.6778(1) angstrom), and PdTe0.67Bi0.33 (a = 4.17796(8) angstrom, c = 5.6733(1) angstrom) belong to the PdTe1 - xBix series: the structures of compounds are based on the statistical substitution of Bi atoms for Te atoms in the PdTe structure (NiAs type, hexagonal system, space group P6(3)/mmc). The concentration limit for substitution in the PdTe1 - xBix series of solid solutions is in the 0.67 < x < 0.8 range. Band structure calculations demonstrate the metallic nature for all compounds and similar electronic structures for PdTe, PdTe1- xBix, and PdBi.