Abstract
The high-pressure, high-temperature structural behaviour of Cd3P2 has been studied using electrical resistance measurements, differential thermal analysis, thermo baric analysis and X-ray diffraction. At room temperature, a phase transformation is observed at 4.0 GPa in compression. The experimental zero-pressure bulk modulus of the low-pressure phase is 64.7(7) GPa, which agrees quite well with the calculated value of 66.3 GPa using the tight-binding linear muffin-tin orbital method within the local density approximation. Tentatively, the high-pressure phase has an orthorhombic crystal structure with space group Pmmn (#59). The relative volume change at the phase transition is Delta V/V= -5.5%. Amorphization of the sample occurs above 25 GPa. A P-T phase diagram of Cd3P2 has been constructed. A metastable phase is observed at ambient conditions after heating the sample to above 600 K at about 3 GPa. A hexagonal unit cell can describe the crystal structure of the metastable phase.
Original language | English |
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Journal | Journal of Alloys and Compounds |
Volume | 450 |
Issue number | 1-2 |
Pages (from-to) | 79-85 |
ISSN | 0925-8388 |
DOIs | |
Publication status | Published - 2008 |
Keywords
- synchrotron radiation
- phase transition at high-pressure and high-temperature
- electron band calculation
- electrical resistivity
- X-ray diffraction
- crystal binding and equation of state