Structure determination of the high-pressure phase of CdSe

Journal Article · Sat Jun 14 04:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4882298· OSTI ID:22304169

Li, Yanchun; Lin, Chuanlong; Li, Xiaodong; Liu, Jing ^[1]; Li, Gong ^[2]; Xu, Jian ^[3]

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1. Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Science, 100049 Beijing (China)
2. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)
3. Institute of Fluid Physics, China Academy of Engineering Physics, P. O. Box 919-102, Mianyang, Sichuan 621900 (China)

Structural phase transition sequence of CdSe has been investigated at pressures up to 60 GPa under quasi-hydrostatic conditions using synchrotron X-ray diffraction. A phase transition from the wurtzite type (B4) to the NaCl-type (B1) structure has been observed, followed by another phase transition to an orthorhombic structure at 27 GPa, in agreement with previous reports. We show that this high-pressure orthorhombic phase has a Pnma symmetry rather than being a Cmcm-symmetric structure as previously suggested. From our observations, the appearance of the new reflections and reflection splitting with increasing pressure is due to the change of atomic relative positions in crystal lattice and the difference in the compression ratio of lattice parameters for the Pnma structure, and we find no evidence for the third phase transition reported previously. The pressure-induced phase transition of CdSe has been further confirmed by the density-functional theory calculations.

• OSTI ID: 22304169
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 22 Vol. 115; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CADMIUM SELENIDES
COMPRESSION RATIO
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
LATTICE PARAMETERS
ORTHORHOMBIC LATTICES
PHASE TRANSFORMATIONS
PRESSURE RANGE GIGA PA
REFLECTION
SYMMETRY
SYNCHROTRONS
X-RAY DIFFRACTION