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Title: Pressure induced structural transitions in CuSbS 2 and CuSbSe 2 thermoelectric compounds

Here, we investigate the structural behavior of CuSbS 2 and CuSbSe 2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We also perform high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS 2 and CuSbSe 2, respectively. High pressure Raman experiments complement the transitions observed by high pressure X-ray diffraction (HPXRD). Finally, the transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.
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  1. Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy and High Pressure Science and Engineering Center (HiPSEC)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Univ. of Nevada, Las Vegas, NV (United States)
Publication Date:
Grant/Contract Number:
NA0001982; NA0001974; FG02-99ER45775; AC02-06CH11357; NA0002006
Accepted Manuscript
Journal Name:
Journal of Alloys and Compounds
Additional Journal Information:
Journal Volume: 643; Journal Issue: C; Journal ID: ISSN 0925-8388
Research Org:
Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab.
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Legacy Management (LM), Office of Site Operations (LM-20)
Country of Publication:
United States
36 MATERIALS SCIENCE; thermoelectrics; structural phase transition; high pressure powder diffraction; Thermoelectrics, Structural phase transition, High-pressure powder diffraction
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1254361; OSTI ID: 1338323