We have performed band structure calculations of high pressure phases of phosphorus within the local-density-functional formalism and the norm-conserving pseudopotential method. The structural stability of the simple hexagonal phase of phosphorus has been studied, and the calculated transition press
Structure of IIIa-ZnIn2S4 under High Pressure
✍ Scribed by T. Tinoco; A. Polian; J. P. Itié; S. A. López
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 132 KB
- Volume
- 211
- Category
- Article
- ISSN
- 0370-1972
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✦ Synopsis
The only member of the II±III 2 ±VI 4 semiconductor family with layered structure is ZnIn 2 S 4 . At ambient conditions several polytypes of this compound have been reported. Energy dispersive X-ray diffraction of ZnIn 2 S 4 has been realized at high pressure up to 18 GPa. The structure of this polytype III a -ZnIn 2 S 4 is rhombohedral with space group R3m. It consists of a close-packed arrangement of S atoms, with Zn and half of the In atoms randomly distributed on tetrahedral sites, and the other half of the In atoms located on octahedral sites. The hexagonal axes are a (3.873 AE 0.002) # e and c (37.067 AE 0.004) # e (V 482 # e 3 , Z 3). No phase transition has been observed between 0 and 18 GPa. The bulk modulus, obtained by fitting the data to a first-order Murnaghan equation of state is B (82 AE 8) GPa.
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Single crystal mat (SCM) samples of polyethylene (PE) were prepared from dilute solution of p-xylen, then they were annealed at pressures of 200 and 500 MPa. Lamellar thickness of the original and annealed SCM samples was measured by smallangle X-ray scattering method. Orientation of the molecular c