%0 Journal Article
%T Unveiling a Novel, Cation-Rich Compound in a High-Pressure Pb每Te Binary System
%J -
%D 2019
%R https://doi.org/10.1021/acscentsci.9b00083
%X High Resolution Image Download MS PowerPoint Slide Because of the common oxidation states of group IV elements (+2 or +4) and group VI elements (ˋ2), 1:1 and 1:2 are two typical stoichiometries found in the IV每VI compounds. Particularly, in the Pb每Te binary system, the 1:1 stoichiometric PbTe is believed to be the only stable compound. Herein, using evolutionary algorithms, density functional theory, a laser-heated diamond anvil cell, and synchrotron X-ray diffraction experiments, we discovered a novel Pb每Te compound with an unexpected stoichiometry of 3:2 above 20 GPa. This tetragonal Pb3Te2 is the one of the very few cation-rich compounds that has ever been discovered in the entire IV每VI binary system. Further analyses based on electron density distribution, electron localization function, and Bader charge have shown that this newly discovered compound has a mixed character of chemical bonding with a decreased ionicity. By further calculating the electron每phonon interaction, Pb3Te2 is predicted to exhibit a superconducting transition at low temperatures. The discovery of Pb3Te2 paves the way for further explorations of other novel cation-rich IV每VI group compounds
%U https://pubs.acs.org/doi/10.1021/acscentsci.9b00083