Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds

Baker, Jason; Kumar, Ravhi S.; Sneed, Daniel; Connolly, Anthony; Zhang, Yi; Velisavljevic, Nenad; Paladugu, Jayalakshmi; Pravica, Michael; Chen, Changfeng; Cornelius, Andrew; Zhao, Yusheng

doi:10.1016/j.jallcom.2015.04.138

Pressure induced structural transitions in CuSbS₂ and CuSbSe₂ thermoelectric compounds

Journal Article · Mon Apr 27 00:00:00 EDT 2015 · Journal of Alloys and Compounds

DOI:https://doi.org/10.1016/j.jallcom.2015.04.138· OSTI ID:1332338

Baker, Jason ^[1]; Kumar, Ravhi S. ^[2]; Sneed, Daniel ^[2]; Connolly, Anthony ^[2]; Zhang, Yi ^[2]; Velisavljevic, Nenad ^[3]; Paladugu, Jayalakshmi ^[4]; Pravica, Michael ^[2]; Chen, Changfeng ^[2]; Cornelius, Andrew ^[2]; Zhao, Yusheng ^[2]

Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy and High Pressure Science and Engineering Center (HiPSEC); UNLV
Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy and High Pressure Science and Engineering Center (HiPSEC)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of Nevada, Las Vegas, NV (United States)

Here, we investigate the structural behavior of CuSbS₂ and CuSbSe₂ 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 CuSbS₂ and CuSbSe₂, 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.

View Accepted Manuscript (DOE)

Research Organization:: Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab.; Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113); USDOE Office of Legacy Management (LM), Office of Site Operations (LM-20); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; FG02-99ER45775; NA0001974; NA0001982; NA0002006

OSTI ID:: 1332338

Alternate ID(s):: OSTI ID: 1338323
OSTI ID: 22450674
OSTI ID: 1182304
OSTI ID: 1254361

Journal Information:: Journal of Alloys and Compounds, Journal Name: Journal of Alloys and Compounds Journal Issue: C Vol. 643; ISSN 0925-8388

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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