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This work explores how doping and charge compensation influence ferroelectric properties in La:ZrO2.

Dopant-vacancy synergy effects on ferroelectric La-doped ZrO2

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Randomized trial reveals enhanced ferroelectric properties in La-doped ZrO2, indicating the significance of charge compensation.

This work explores how doping and charge compensation influence ferroelectric properties in La:ZrO2.
Utilized first-principles density functional theory calculations.
Investigated the effects of ionic compensation and configurational disorder.
Analyzed the spatial distribution of La in relation to oxygen vacancy formation.
Noted a preference for ionic compensation that leads to spontaneous oxygen vacancy formation.
Identified that La spatial distribution affects oxygen vacancy sites significantly.
Demonstrated strong asymmetries in energies affecting switching barriers and domain pinning.

Silva et al. (2026) studied this question.

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