MgO外延PdO薄膜的取向控制——氧化学势的作用

IF 4.4 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Min-Ju Choi, Krishna P. Koirala, Hua Zhou, Mark E. Bowden, Hyoju Park, Christie Nelson, Raul Acevedo-Esteves, Jinhui Tao, Peter V. Sushko, Yingge Du
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引用次数: 0

摘要

控制功能材料薄膜中的晶体取向允许对其应变状态、电子特性和表面化学反应性进行选择性调整。本文研究了外延PdO薄膜的取向控制条件。由于PdO的四边形结构,它可以与MgO形成两种取向关系(001)。结果表明,在氧等离子体辅助分子束外延提供的富氧环境下,MgO(001)上形成(00l)-和(100)取向PdO结构域。随后在真空中的热退火促进薄膜重组为主要(100)取向的PdO,结晶度提高。从头计算表明,(001)取向具有较低的应变能,但界面相互作用较弱,是氧空位汇,而(100)取向受益于明显较强的MgO─PdO键。因此(100)取向结构域在贫氧条件下更受青睐。提出了一种机制,真空退火通过产生氧空位来驱动取向转变,从而破坏(001)结构域并促进(100)有序。这些发现加深了对氧含量如何影响界面稳定性和重组的理解,从而为调整氧化薄膜中的畴取向提供了一条途径。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Orientation Control in Epitaxial PdO Thin Films Grown on MgO (001) – Role of Oxygen Chemical Potential

Orientation Control in Epitaxial PdO Thin Films Grown on MgO (001) – Role of Oxygen Chemical Potential

Control of crystal orientations in thin films of functional materials allowsedictive tuning of their strain states, electronic properties, and surface chemical reactivity. Here, conditions for orientation control in epitaxial PdO films are investigated. Due to its tetragonal structure, PdO can form two orientational relationships with the MgO (001). It is shown that, under an oxygen-rich environment provided by oxygen-plasma-assisted molecular beam epitaxy, both (00l)- and (100)-oriented PdO domains form on MgO (001). Subsequent thermal annealing in a vacuum promotes film restructuring to a predominantly (100)-oriented PdO with improved crystallinity. Ab initio calculations reveal that the (001) orientation has lower strain energy but weaker interfacial interactions and serves as an oxygen vacancy sink, whereas the (100) orientation benefits from significantly stronger MgO─PdO bonding. Consequently (100)-oriented domains become favored under oxygen-poor conditions. A mechanism is proposed whereby vacuum annealing drives orientation transformation by generating oxygen vacancies that destabilize the (001) domains and promote (100) ordering. These findings deepen the understanding of how oxygen content impacts interfacial stability and reorganization, thereby offering a route to tune domain orientations in oxide thin films.

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来源期刊
Advanced Materials Interfaces
Advanced Materials Interfaces CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
8.40
自引率
5.60%
发文量
1174
审稿时长
1.3 months
期刊介绍: Advanced Materials Interfaces publishes top-level research on interface technologies and effects. Considering any interface formed between solids, liquids, and gases, the journal ensures an interdisciplinary blend of physics, chemistry, materials science, and life sciences. Advanced Materials Interfaces was launched in 2014 and received an Impact Factor of 4.834 in 2018. The scope of Advanced Materials Interfaces is dedicated to interfaces and surfaces that play an essential role in virtually all materials and devices. Physics, chemistry, materials science and life sciences blend to encourage new, cross-pollinating ideas, which will drive forward our understanding of the processes at the interface. Advanced Materials Interfaces covers all topics in interface-related research: Oil / water separation, Applications of nanostructured materials, 2D materials and heterostructures, Surfaces and interfaces in organic electronic devices, Catalysis and membranes, Self-assembly and nanopatterned surfaces, Composite and coating materials, Biointerfaces for technical and medical applications. Advanced Materials Interfaces provides a forum for topics on surface and interface science with a wide choice of formats: Reviews, Full Papers, and Communications, as well as Progress Reports and Research News.
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