GGA-based DFT predicts that all lanthanide monoxides undergo a pressure-induced structural transition from the B1 (NaCl-type) to B2 (CsCl-type) phase, with GGA outperforming LDA in matching ambient-pressure experiments.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Density Functional Theory Study of Lanthanide Monoxides under High Pressure: Pressure-Induced B1-B2 Transition
GGA-based DFT predicts that all lanthanide monoxides undergo a pressure-induced structural transition from the B1 (NaCl-type) to B2 (CsCl-type) phase, with GGA outperforming LDA in matching ambient-pressure experiments.