On the ambient conditions crystal structure of AgSbTe2
Abstract
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.
Article Details
Journal Info
Applied Physics Letters
American Institute of Physics
Authors (9)
Baihong Sun
Department of Materials Science and Engineering, Guangdong Technion-Israel Institute of Technology 1 , Shantou 515063,
Sergei Grazhdannikov
Department of Materials Science and Engineering, Technion-Israel Institute of Technology 2 , Haifa 3200003,
Muhamed Dawod
Department of Materials Science and Engineering, Technion-Israel Institute of Technology 2 , Haifa 3200003,
Lunhua He
Jiazheng Hao
Spallation Neutron Source Science Center
Thomas Meier
Department of Life Sciences, Sir Ernst Chain Building-Wolfson Laboratories, Imperial College London
Yansun Yao
Department of Physics and Engineering Physics, University of Saskatchewan Saskatoon 8 , Saskatoon, Saskatchewan S7N 5E2,
Yaron Amouyal
Department of Materials Science and Engineering, Technion-Israel Institute of Technology 2 , Haifa 3200003,
Elissaios Stavrou
Department of Materials Science and Engineering, Guangdong Technion-Israel Institute of Technology 1 , Shantou 515063,