On the ambient conditions crystal structure of AgSbTe2
We present a combined x-ray and neutron diffraction, Raman spectroscopy, and 121Sb nuclear magnetic resonance (NMR) experimental study of AgSbTe2, supported by first-principles calculations aiming to elucidate its crystal structure. While diffraction methods cannot unambiguously identify the structure, Raman and NMR data, together with electric field gradient calculations, strongly support a rhombohedral R3¯m phase. Moreover, the agreement between experimental and calculated Raman spectra further corroborates this result, resolving the 60-year old debate about the exact crystal structure of the AgSbTe2 compound.
Authors
- Yaron Amouyal (ORCID: https://orcid.org/0000-0003-2198-3539)
- Thomas Meier (ORCID: https://orcid.org/0000-0003-4722-803X)
- Lunhua He (ORCID: https://orcid.org/0000-0002-0531-2148)
- Elissaios Stavrou (ORCID: https://orcid.org/0000-0001-5212-4927)
- Sergei Grazhdannikov (ORCID: https://orcid.org/0000-0001-5963-3134)
- Baihong Sun
- Yansun Yao (ORCID: https://orcid.org/0000-0003-1972-5055)
- Jiazheng Hao
- Muhamed Dawod
Institutions
- Technion – Israel Institute of Technology (IL)
- Chinese Academy of Sciences (CN)
- University of Saskatchewan (CA)
- China Spallation Neutron Source (CN)
- Shanghai Advanced Research Institute (CN)
- Songshan Lake Materials Laboratory (CN)
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ)
- Institute of High Energy Physics (AT)
- Institute of High Energy Physics (CN)
- Guangdong Technion-Israel Institute of Technology (CN)
- Institute of Physics (CN)
- Spallation Neutron Source
Publication Details
- Journal
- Applied Physics Letters
- Published
- 2025-10-13
- DOI
- https://doi.org/10.1063/5.0293705
- Citations
- 1
- Primary Topic
- Advanced Thermoelectric Materials and Devices
- Type
- article
- Field-Weighted Citation Impact
- 0.52
Funders
- National Science Foundation
- National Natural Science Foundation of China
- Science and Technology Commission of Shanghai Municipality
- Technion-Israel Institute of Technology
- Natural Sciences and Engineering Research Council of Canada
- National Key Research and Development Program of China