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- Publisher Website: 10.1021/acscentsci.9b00083
- Scopus: eid_2-s2.0-85064834239
- PMID: 31041388
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Article: Unveiling a novel, cation-rich compound in a high-pressure Pb-Te binary system
Title | Unveiling a novel, cation-rich compound in a high-pressure Pb-Te binary system |
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Authors | |
Keywords | Chemical analysis Chemical bonds Density functional theory Electron-phonon interactions Experimental mineralogy |
Issue Date | 2019 |
Publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/acscii |
Citation | ACS Central Science, 2019, v. 5 n. 4, p. 683-687 How to Cite? |
Abstract | Because of the common oxidation states of group IV elements (+2 or +4) and group VI elements (−2), 1:1 and 1:2 are two typical stoichiometries found in the IV–VI compounds. Particularly, in the Pb–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–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–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–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–VI group compounds. |
Persistent Identifier | http://hdl.handle.net/10722/272245 |
ISSN | 2023 Impact Factor: 12.7 2023 SCImago Journal Rankings: 3.722 |
PubMed Central ID | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Yu, H | - |
dc.contributor.author | Lin, X | - |
dc.contributor.author | Li, K | - |
dc.contributor.author | Chen, Y | - |
dc.date.accessioned | 2019-07-20T10:38:31Z | - |
dc.date.available | 2019-07-20T10:38:31Z | - |
dc.date.issued | 2019 | - |
dc.identifier.citation | ACS Central Science, 2019, v. 5 n. 4, p. 683-687 | - |
dc.identifier.issn | 2374-7951 | - |
dc.identifier.uri | http://hdl.handle.net/10722/272245 | - |
dc.description.abstract | Because of the common oxidation states of group IV elements (+2 or +4) and group VI elements (−2), 1:1 and 1:2 are two typical stoichiometries found in the IV–VI compounds. Particularly, in the Pb–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–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–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–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–VI group compounds. | - |
dc.language | eng | - |
dc.publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/acscii | - |
dc.relation.ispartof | ACS Central Science | - |
dc.rights | Copyright © 2019 American Chemical Society. This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. | - |
dc.subject | Chemical analysis | - |
dc.subject | Chemical bonds | - |
dc.subject | Density functional theory | - |
dc.subject | Electron-phonon interactions | - |
dc.subject | Experimental mineralogy | - |
dc.title | Unveiling a novel, cation-rich compound in a high-pressure Pb-Te binary system | - |
dc.type | Article | - |
dc.identifier.email | Chen, Y: yuechen@hku.hk | - |
dc.identifier.authority | Chen, Y=rp01925 | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1021/acscentsci.9b00083 | - |
dc.identifier.pmid | 31041388 | - |
dc.identifier.pmcid | PMC6487446 | - |
dc.identifier.scopus | eid_2-s2.0-85064834239 | - |
dc.identifier.hkuros | 298975 | - |
dc.identifier.volume | 5 | - |
dc.identifier.issue | 4 | - |
dc.identifier.spage | 683 | - |
dc.identifier.epage | 687 | - |
dc.identifier.isi | WOS:000465530600016 | - |
dc.publisher.place | United States | - |
dc.identifier.issnl | 2374-7943 | - |