Monazite-type SrCrO4 under compression

Gleissner, J.; Errandonea, Daniel; Segura, A.; Pellicer-Porres, J.; Hakeem, M. A.; Proctor, J. E.; Raju, S. V.; Kumar, R. S.; Rodríguez-Hernández, P.; Munoz, A.; Lopez-Moreno, S.; Bettinelli, M.

doi:10.1103/PhysRevB.94.134108

Monazite-type $SrCr O_{4}$ under compression

Journal Article · Thu Oct 20 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.134108· OSTI ID:1332350

Gleissner, J. ^[1]; Errandonea, Daniel ^[2]; Segura, A. ^[2]; Pellicer-Porres, J. ^[2]; Hakeem, M. A. ^[3]; Proctor, J. E. ^[3]; Raju, S. V. ^[4]; Kumar, R. S. ^[5]; Rodríguez-Hernández, P. ^[6]; Munoz, A. ^[6]; Lopez-Moreno, S. ^[7]; Bettinelli, M. ^[8]

Univ. de Valencia, Valencia (Spain); Imperial College London, London (United Kingdom); UNLV
Univ. de Valencia, Valencia (Spain)
Univ. of Salford, Manchester (United Kingdom)
Florida Intl Univ., Miami, FL (United States)
Univ. of Nevada, Las Vegas, NV (United States)
Univ. de La Laguna, Tenerife (Spain)
Univ. of Campeche, Campeche (Mexico)
Univ. of Verona and INSTM, Verona (Italy)

We report a high-pressure study of monoclinic monazite-type SrCrO₄ up to 26 GPa. Therein we combined x-ray diffraction, Raman, and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO₄ near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO₄-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO₄. We determined the pressure evolution of the band gap for the low- and high-pressure phases as well as the frequencies and pressure dependencies of the Raman-active modes. In all three phases most Raman modes harden under compression, however the presence of low-frequency modes which gradually soften is also detected. In monazite-type SrCrO₄, the band gap blueshifts under compression, but the transition to the scheelite phase causes an abrupt decrease of the band gap in SrCrO₄. Calculations showed good agreement with experiments and were used to better understand the experimental results. From x-ray-diffraction studies and calculations we determined the pressure dependence of the unit-cell parameters of the different phases and their ambient-temperature equations of state. The results are compared with the high-pressure behavior of other monazites, in particular PbCrO₄. A comparison of the high-pressure behavior of the electronic properties of SrCrO₄ (SrWO₄) and PbCrO₄ (PbWO₄) will also be made. Lastly, the possible occurrence of a third structural phase transition is discussed.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP) (NA-10)

Grant/Contract Number:: NA0001982

OSTI ID:: 1332350

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 13 Vol. 94; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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