Revisit of pressure-induced phase transition in PbSe [electronic resource] : Crystal structure, and thermoelastic and electrical properties

Published:: Washington, D.C. : United States. National Nuclear Security Administration, 2015.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description:: pages 4,981-4,989 : digital, PDF file
Additional Creators:: United States. National Nuclear Security Administration
United States. Department of Energy. Office of Scientific and Technical Information
Access Online:: www.osti.gov

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Summary:

Lead selenide, PbSe, an important lead chalcogenide semiconductor, has been investigated using in–situ high–pressure/high–temperature synchrotron x–ray diffraction and electrical resistivity measurements. For the first time, high–quality x-ray diffraction data were collected for the intermediate orthorhombic PbSe. Combined with ab initio calculations, we find a Cmcm, InI–type symmetry for the intermediate phase, which is structurally more favorable than the anti–GeS–type Pnma. At room temperature, the onset of the cubic–orthorhombic transition was observed at ~3.5 GPa with a ~3.4% volume reduction. At an elevated temperature of 1000 K, the reversed orthorhombic–to–cubic transition was observed at 6.12 GPa, indicating a positive Clapeyron slope for the phase boundary. Interestingly, phase–transition induced elastic softening in PbSe was also observed, which can be mainly attributed to the loosely bonded trigonal prisms along the b–axis in the Cmcm structure. Compared with the cubic phase, orthorhombic PbSe exhibits a large negative pressure dependence of electrical resistivity. Additionally, thermoelastic properties of orthorhombic PbSe have been derived from isothermal compression data, such as temperature derivative of bulk modulus and thermally induced pressure.

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Published through SciTech Connect.
05/04/2015.
Inorganic Chemistry 54 10 ISSN 0020-1669 AM
Shanmin Wang; Chengpeng Zang; Yongkun Wang; Liping Wang; Jianzhong Zhang; Christian Childs; Hui Ge; Hongwu Xu; Haiyan Chen; Duanwei He; Yusheng Zhao.
Univ. of Nevada, Las Vegas, NV (United States)

Funding Information:

NA0001982

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