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Title: Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

The structural transitions of PbS were investigated at pressures up to 50 GPa using synchrotron powder and single crystal X-ray diffraction (XRD) methods in diamond anvil cells. We found two intermediate phases between the B1 phase under atmospheric pressure and the B2 phase at 21.1 GPa, which is different to previous reports. The structures of these two intermediate phases were indexed as B27 and B33, respectively. Their structural parameters were investigated using density functional theory (DFT) calculations. Our results provide a new insight into understanding the transition pathway between the B1 and B2 phases in PbS.
Authors:
; ; ;  [1] ;  [2] ;  [3]
  1. Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Science, Beijing 100049 (China)
  2. Institute of Fluid Physics, China Academy of Engineering Physics, P. O. Box 919-102, Mianyang, Sichuan 621900 (China)
  3. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)
Publication Date:
OSTI Identifier:
22420196
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 4; Journal Issue: 12; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATMOSPHERIC PRESSURE; DENSITY FUNCTIONAL METHOD; LEAD SULFIDES; MONOCRYSTALS; POWDERS; PRESSURE RANGE GIGA PA; PRESSURE RANGE MEGA PA 10-100; X-RAY DIFFRACTION