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The layered metal Ti2PTe2 |
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| Authors: | Frauke Philipp Michael Ruck Anna Isaeva |
| Affiliation: | a Department of Chemistry and Food Chemistry, Dresden University of Technology, Helmholtzstr. 10, 01069 Dresden, Germany b Max-Planck Institute for Chemical Physics of Solids, Nöthnitzer Street 40, 01187 Dresden, Germany c Material Science Department, Moscow State University, 119991 Leninskie Gory, 1, Moscow, Russia |
| Abstract: | Crystals of Ti2PTe2 have been synthesised by chemical vapour transport. Ti2PTe2 crystallises, isostructural to the mineral tetradymite (Bi2STe2), in the space group R3¯m with unit-cell parameters a=3.6387(2) Å and c=28.486(2) Å for the hexagonal setting. In the structure, layers of isolated phosphide and telluride anions form an ordered close sphere-packing with titanium cations filling two-thirds of the octahedral voids. From XANES fluorescence, the presence of Ti4+ is clearly established. In accordance with the ionic formula (Ti4+)2(P3−)(Te2−)2(e−) metallic conductivity (ρ=40 μΩ cm at 300 K) and nearly temperature-independent paramagnetism are found. The electronic band structure shows bands of titanium states crossing the Fermi level in directions corresponding to the ab-plane and a band gap along the c-axis. |
| Keywords: | Titanium phosphide telluride Crystal structure XANES-fluorescence Electrical conductivity Band structure |
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