First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4
Abstract Orthorhombic Ca2CO4 is a recently discovered orthocarbonate whose high-pressure physical properties are critical for understanding the deep carbon cycle. Here, we study the structure, elastic and seismic properties of Ca2CO4-Pnma at 20–140 GPa using first-principles calculations, and compar...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-07-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-38604-w |