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20082026
most citedRelative phase stability and lattice dynamics of NaNbO from first-principles calculations

28 citations · 48 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2025

A Local-Phase Framework for the BaTi_{1-x}Zr_xO_3$ Phase Diagram: From Ferroelectricity to Dipolar Glass

M. Sepliarsky, F. Aquistapace, F. Di Rino +2

We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which…