Dopant-vacancy synergy effects on ferroelectric La doped ZrO2
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下载链接：
https://datarepositorium.uminho.pt/citation?persistentId=doi:10.34622/datarepositorium/GATMQJ
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资源简介：
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 (Vienna Ab-initio Simulation Package). The presented data files consist in POSCAR vasp input files in TXT format.
提供机构：
Repositório de Dados da Universidade do Minho
创建时间：
2026-05-11
