Structural transformation for BaBiO_3-δ thin films grown on SrTiO₃-buffered Si(001) induced by an in-situ molecular beam epitaxy cooldown process.

IF 9.6 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Communications Materials Pub Date : 2025-01-01 Epub Date: 2025-08-20 DOI:10.1038/s43246-025-00877-1

Islam Ahmed, Olivier Richard, Partrick Carolan, Marco Gambin, Luca Ceccon, Moloud Kaviani, Stefan De Gendt, Clement Merckling

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Abstract

Oxygen loss is a common defect type in perovskites which is caused by a low oxygen background pressure during growth. BaBiO_3-δ thin films are grown by molecular beam epitaxy on SrTiO₃-buffered Si(001) substrates. Although activated oxygen is supplied during growth, large amount of oxygen vacancies is created in the thin film depending on the cooldown process. Perovskite structure is obtained when the cooldown process includes an extended period during which activated oxygen is supplied. Another way for inducing the structural transformation is enabled via an ex-situ anneal at molecular oxygen. The transformation into BaBiO₃ is manifested as reconstructed octahedra based on transmission electron microscopy, Raman spectroscopy, and photoluminescence. Additionally, smaller out-of-plane lattice constant is observed for the perovskite phase supported by X-ray diffraction. Thermal mismatch and multivalency-facilitated tensile strain exerted on the layers by the underlying Si substrates are presented as the driving force behind the creation of oxygen vacancies.

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原位分子束外延冷却工艺诱导srtio3缓冲Si（001）上生长的BaBiO3-δ薄膜的结构转变

氧损失是钙钛矿中常见的缺陷类型，它是由生长过程中低氧背景压引起的。采用分子束外延的方法在srtio3缓冲的Si（001）衬底上生长了BaBiO3-δ薄膜。虽然在生长过程中提供了活性氧，但根据冷却过程，薄膜中会产生大量的氧空位。当冷却过程包括一段较长时间的活性氧供应时，获得钙钛矿结构。诱导结构转变的另一种方法是通过分子氧的非原位退火实现的。通过透射电子显微镜、拉曼光谱和光致发光的分析，发现其转化为重组的八面体。此外，x射线衍射观察到钙钛矿相的面外晶格常数较小。热失配和由Si衬底施加在层上的多价促进的拉伸应变被认为是产生氧空位的驱动力。

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来源期刊

Communications Materials MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

12.10

自引率

1.30%

发文量

审稿时长

17 weeks

期刊介绍： Communications Materials, a selective open access journal within Nature Portfolio, is dedicated to publishing top-tier research, reviews, and commentary across all facets of materials science. The journal showcases significant advancements in specialized research areas, encompassing both fundamental and applied studies. Serving as an open access option for materials sciences, Communications Materials applies less stringent criteria for impact and significance compared to Nature-branded journals, including Nature Communications.