r²SCAN meta-GGA accurately predicts yttrium hcp-Sm-dhcp transition pressures matching experiment, with transitions driven by vibrational soft acoustic modes in phonons.
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Revisiting Phase Transitions of Yttrium: Insights from Density Functional Theory
r²SCAN meta-GGA accurately predicts yttrium hcp-Sm-dhcp transition pressures matching experiment, with transitions driven by vibrational soft acoustic modes in phonons.