Effects of high-pressure on the structural, vibrational, and electronic properties of monazite-type PbCrO4

Abstract

We have performed an experimental study of the crystal structure, lattice-dynamics, and optical properties of PbCrO4 (the mineral crocoite) at ambient and high pressures. In particular, the crystal structure, Raman-active phonons, and electronic band-gap have been accurately determined. X-ray-diffraction, Raman, and optical-absorption experiments have allowed us also to completely characterize two pressure-induced structural phase transitions. The first transition is isostructural, maintaining the monoclinic symmetry of the crystal, and having important consequences in the physical properties; among other a band-gap collapse is induced. The second one involves an increase of the symmetry of the crystal, a volume collapse, and probably the metallization of PbCrO4. The results are discussed in comparison with related compounds and the effects of pressure in the electronic structure explained. Finally, the room-temperature equation of state of the low-pressure phases is also obtained.

32 pages, 9 figures, 3 tables

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• Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates
• Tuning the band gap of PbCrO4 through high-pressure: Evidence of wide-to-narrow semiconductor transitions
• Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph
• Structural study of alfa-Bi2O3 under pressure
• Phase stability of lanthanum orthovanadate at high-pressure
• A review on the advancements in the characterization of the high-pressure properties of iodates
• Monazite-type SrCrO4 under compression