Growth, structure and defects of (La,Sr)(Al,Ta)O3 crystals for preparing BiFeO3 thin films
Growth, structure and defects of (La,Sr)(Al,Ta)O3 crystals for preparing BiFeO3 thin films
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用于制备BiFeO3薄膜的(La,Sr)(Al,Ta)O3晶体的生长、结构和缺陷
DOI：
10.1039/d1dt01483h
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发表时间：
2021-08-26
影响因子：
4
通讯作者：
Zhuang，Naifeng
中科院分区：
文献类型：
--
作者：
Xia，Tonglin;Gan，Yao;Zhuang，Naifeng
本文重点研究了一种新的(La，Sr)(Al，Ta)O_3(LSAT)晶体作为制备完美BiFeO_3薄膜的理想衬底。设计的晶体结构具有LSAT和BiFeO_3之间的低晶格失配。用提拉法生长了LSAT晶体。为了得到透过率较高的无色晶体，采用密度泛函理论对具有不同缺陷的晶体进行了模拟。结果表明，色心来源于VSR+VO或VSR+2VO缺陷。因此，晶体有必要在氧气中然后在氮气中进行退火。高质量的BiFeO_3/LSAT薄膜具有广阔的应用前景。
A new (La,Sr)(Al,Ta)O3 (LSAT) crystal is focused on in this paper to be used as an ideal substrate for preparing perfect BiFeO3 thin films. The crystal structures are designed with a low lattice mismatch between LSAT and BiFeO3. LSAT crystals were grown by the Czochralski method. In order to get colourless crystals with high transmittance, density functional theory is used to simulate the crystals with different defects. From the results, it is found that the colour centre originates from the defect of VSr + VO or VSr + 2VO. Thus, it is necessary for the crystals to be annealed in O2 and then in N2. High-quality BiFeO3/LSAT thin films will have promising application prospects.