揭示从 γ-Ga2O3 到 β-Ga2O3 的无序相变的原子机制

IF 5.3 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY APL Materials Pub Date : 2024-01-12 DOI:10.1063/5.0182500
Charlotte Wouters, Musbah Nofal, Piero Mazzolini, Jijun Zhang, Thilo Remmele, Albert Kwasniewski, Oliver Bierwagen, Martin Albrecht
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引用次数: 0

摘要

本文利用原位透射电子显微镜研究了从无定形 Ga2O3 到 γ-Ga2O3 再到β-Ga2O3 的无序相变。原位研究辅以原位退火实验,实验结果通过 X 射线衍射和高分辨率(扫描)透射电子显微镜进行分析。通过分子束外延技术在 100 ℃ 下沉积的无定形 Ga2O3 在 470 ℃ 时结晶为 γ 相 (Fd3̄m),在 500 ℃ 以上发生向 β 相的相变。在 500° 至 900 °C 之间,我们发现γ-Ga2O3 和 β-Ga2O3 的混合物共存。在 950 °C以上,我们只发现了β-Ga2O3。通过分析和考虑对称关系,我们构建了这两种结构的重合位点晶格,其中包含氧原子占据的共同 fcc 型子晶格、两种相共有的 β-Ga2O3 阳离子位点以及与 β 相中的间隙位点相对应的γ 相中部分占据的阳离子位点。我们确定了该晶格中的原子位移,这些位移将最初无序的尖晶石结构与部分阳离子位点转化为β-Ga2O3的有序晶格。我们将这种转变确定为由阳离子交换到下一个近邻位点介导的无序到有序的重构相变。我们的模型不仅能解释最近观察到的 n 型掺杂植入过程中 γ-Ga2O3 的形成以及随后退火后 β-Ga2O3 的恢复,还能启发对其他具有类似相变的材料的理解。
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Unraveling the atomic mechanism of the disorder–order phase transition from γ-Ga2O3 to β-Ga2O3
In this paper, we employ in situ transmission electron microscopy to study the disorder–order phase transition from amorphous Ga2O3 to γ-Ga2O3 and then to β-Ga2O3. The in situ studies are complemented by ex situ annealing experiments, of which the results are analyzed by x-ray diffraction and high resolution (scanning) transmission electron microscopy. Amorphous Ga2O3 deposited at 100 °C by molecular beam epitaxy crystallizes at 470 °C in the γ phase (Fd3̄m), which undergoes a phase transition to the β phase above 500 °C. Between 500° and 900 °C, we find a mixture of γ-Ga2O3 and β-Ga2O3 coexisting. Above 950 °C, we find only β-Ga2O3. Through our analyses and by considering symmetry relations, we have constructed a coincidence site lattice of both structures containing a common fcc-type sublattice occupied by oxygen atoms, the cation sites of β-Ga2O3 common to both phases, and partially occupied cation sites in the γ phase corresponding to the interstitial sites in the β phase. We assign the atomic displacements within this lattice responsible for transforming the initially disordered spinel structure with partially occupied cation sites into the well-ordered lattice of β-Ga2O3. We identify this transition as a reconstructive disorder-to-order phase transition, mediated by the exchange of cations to next nearest neighbor sites. Our model not only explains recent observations of the formation of γ-Ga2O3 during implantation for n-type doping and the subsequent recovery of β-Ga2O3 following annealing but also holds potential for inspiring understanding in other materials with similar phase transitions.
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来源期刊
APL Materials
APL Materials NANOSCIENCE & NANOTECHNOLOGYMATERIALS SCIE-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
9.60
自引率
3.30%
发文量
199
审稿时长
2 months
期刊介绍: APL Materials features original, experimental research on significant topical issues within the field of materials science. In order to highlight research at the forefront of materials science, emphasis is given to the quality and timeliness of the work. The journal considers theory or calculation when the work is particularly timely and relevant to applications. In addition to regular articles, the journal also publishes Special Topics, which report on cutting-edge areas in materials science, such as Perovskite Solar Cells, 2D Materials, and Beyond Lithium Ion Batteries.
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