AI Article Synopsis
- The study examined the structural changes in CaSnO, SrSnO, and ZnSnO under high pressure using powder X-ray diffraction and density functional theory up to 20 GPa.
- No phase transitions were observed in CaSnO and ZnSnO, while SrSnO exhibited a transition at 9.09 GPa from a tetragonal polymorph to a different tetragonal form.
- The research also provides detailed data on the compressibility, pressure-volume equations, elastic constants, and high-pressure behavior of these compounds, contributing to the understanding of MSnO stannates.
Article Abstract
The pressure-induced structural evolution of CaSnO, SrSnO, and ZnSnO has been characterized by powder X-ray diffraction up to 20 GPa using the ALBA synchrotron radiation source and density functional theory calculations. No phase transition was observed in CaSnO and ZnSnO in the investigated pressure range. The observation in ZnSnO solves contradictions existing in the literature. In contrast, a phase transition was observed in SrSnO at a pressure of 9.09 GPa. The transition was characterized as from the ambient-condition tetragonal polymorph (space group 4/) to the low-temperature tetragonal polymorph (space group 4/). The linear compressibility of crystallographic axes and room-temperature pressure-volume equation of state are reported for the three compounds studied. Calculated elastic constants and moduli are also reported as well as a systematic discussion of the high-pressure behavior and bulk modulus of MSnO stannates.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10823467 | PMC |
| http://dx.doi.org/10.1021/acs.jpcc.3c06726 | DOI Listing |
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