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

Wang, Shanmin; Zang, Chengpeng; Wang, Yongkun; Wang, Liping; Zhang, Jianzhong; Childs, Christian; Ge, Hui; Xu, Hongwu; Chen, Haiyan; He, Duanwei; Zhao, Yusheng

doi:10.1021/acs.inorgchem.5b00591

Title: Revisit of pressure-induced phase transition in PbSe: Crystal structure, and thermoelastic and electrical properties

Journal Article · Mon May 04 00:00:00 EDT 2015 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.5b00591· OSTI ID:1332535

Wang, Shanmin ^[1]; Zang, Chengpeng ^[2]; Wang, Yongkun ^[3]; Wang, Liping ^[4]; Zhang, Jianzhong ^[5]; Childs, Christian ^[4]; Ge, Hui ^[6]; Xu, Hongwu ^[5]; Chen, Haiyan ^[7]; He, Duanwei ^[3]; Zhao, Yusheng ^[8]

Univ. of Nevada, Las Vegas, NV (United States); Sichuan Univ., Chengdu (China); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of Nevada, Las Vegas, NV (United States); Shanghai Jiao Tong Univ., Shanghai (China)
Sichuan Univ., Chengdu (China)
Univ. of Nevada, Las Vegas, NV (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Chinese Academy of Sciences (CAS), Shanxi (China)
Stony Brook Univ., Stony Brook, NY (United States)
Univ. of Nevada, Las Vegas, NV (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

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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Research Organization:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0001982

OSTI ID:: 1332535

Journal Information:: Inorganic Chemistry, Vol. 54, Issue 10; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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Title: Revisit of pressure-induced phase transition in PbSe: Crystal structure, and thermoelastic and electrical properties

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