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20222026
most citedAb Initio bulk free energy surface of proper ferroelectrics

2 citations · 2 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2025

Intrinsic structure of relaxor ferroelectrics from first principles

Xinyu Xu, Kehan Cai, Yubai Shi +2

We develop FIRE-Swap, a first-principles framework for sampling intrinsic compositional structures in complex perovskites with machine-learning interatomic potentials (MLIPs). Usin…