Pressure-stabilized unconventional stoichiometric yttrium sulfides
Yttrium sulfides are found to exhibit rich phase diagram and diverse properties under pressures. Here, we systematically investigate the stability of binary Y-S system up to 50 GPa using first-principles swarm-intelligence structure search. We identify seven hitherto unknown stoichiometries (Y_{7}S_...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2020-12-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.043435 |