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Dopant-vacancy synergy effects on ferroelectric La doped ZrO2
May 11, 2026 - Lab Física Computacional
Marques, Luis; Lenzi, Veniero; Silva, Alexandre, 2026, "Dopant-vacancy synergy effects on ferroelectric La doped ZrO2", https://doi.org/10.34622/datarepositorium/GATMQJ, Repositório de Dados da Universidade do Minho, V1
The present Dataset makes available the set of optimized structures used to calculate the energetics, polarization and piezoelectric properties, and switching energy barriers for 6.25 cat.% La-doped ZrO2, using density functional theory calculations performed using VASP 6.5 (Vien...
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