Phase transitions in Cd3P2 at high pressures and high temperatures

F.S. Yel'kin, V.A. Sidorov, A. Waskowska, Leif Gerward, J. Staun Olsen, G. Vaitheeswaran, V. Kanchana

Research output: Contribution to journalJournal articleResearchpeer-review


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 languageEnglish
JournalJournal of Alloys and Compounds
Issue number1-2
Pages (from-to)79-85
Publication statusPublished - 2008


  • synchrotron radiation
  • phase transition at high-pressure and high-temperature
  • electron band calculation
  • electrical resistivity
  • X-ray diffraction
  • crystal binding and equation of state


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