Crystal structure prediction of ReN2 under high pressure
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DOI: 10.1007/s12648-019-01620-6
Abstract: Three ReN2 phases (Pbcn, C2/m and P4/mbm) are searched to be stable under different pressures by the swarm-intelligence-based CALYPSO method. Pressure-induced phase transitions from Pbcn phase to C2/m phase at 68.5 GPa and C2/m phase to… read more here.
Keywords: crystal structure; prediction ren2; structure prediction; high pressure ... See more keywords