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Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.014111
Abstract: Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite ${\mathrm{LaWN}}_{3}$. Lattice dynamics calculations indicate that the ground-state structure belongs to space group $R3c$. Two competitive phase transition pathways are identified…
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Keywords:
lattice dynamics;
mathrm lawn;
nitride perovskite;
lawn ... See more keywords