Structural studies of CuAlSe2 and CuAlS2 chalcopyrites at high pressures

Ravhi S. Kumar, A. Sekar, N. Victor Jaya, S. Natarajan, S. Chichibu

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)


The ternary chalcopyrite compounds CuAlSe2 and CuAlS2 were studied up to 14.8 GPa in a diamond anvil cell by energy dispersive X-ray diffraction (EDXRD). The powder X-ray diffraction data at high pressure show that CuAlSe2 undergoes a pressure-induced structural phase transition around 12.5 GPa from the chalcopyrite structure to NaCl type structure. CuAlS2 exhibits structural stability up to 14.8 GPa. The pressure-induced structural phase transition observed in the EDXRD experiments is consistent with the theoretical total energy calculations. The results are consistent with the conclusions of a recent high-pressure Raman study reported for these compounds.

Original languageEnglish
Pages (from-to)4-8
Number of pages5
JournalJournal of Alloys and Compounds
Issue number1-2
Publication statusPublished - 2000 Nov 16


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