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用于材料设计的外延反钙钛矿/钙钛矿异质结构

Epitaxial antiperovskite/perovskite heterostructures for materials design.

作者信息

Quintela Camilo X, Song Kyung, Shao Ding-Fu, Xie Lin, Nan Tianxiang, Paudel Tula R, Campbell Neil, Pan Xiaoqing, Tybell Thomas, Rzchowski Mark S, Tsymbal Evgeny Y, Choi Si-Young, Eom Chang-Beom

机构信息

Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706, USA.

Department of Materials Modeling and Characterization, KIMS, Changwon 51508, South Korea.

出版信息

Sci Adv. 2020 Jul 24;6(30):eaba4017. doi: 10.1126/sciadv.aba4017. eCollection 2020 Jul.

Abstract

Engineered heterostructures formed by complex oxide materials are a rich source of emergent phenomena and technological applications. In the quest for new functionality, a vastly unexplored avenue is interfacing oxide perovskites with materials having dissimilar crystallochemical properties. Here, we propose a unique class of heterointerfaces based on nitride antiperovskite and oxide perovskite materials as a previously unidentified direction for materials design. We demonstrate the fabrication of atomically sharp interfaces between nitride antiperovskite MnGaN and oxide perovskites (LaSr)(AlTa)O and SrTiO. Using atomic-resolution imaging/spectroscopic techniques and first-principles calculations, we determine the atomic-scale structure, composition, and bonding at the interface. The epitaxial antiperovskite/perovskite heterointerface is mediated by a coherent interfacial monolayer that interpolates between the two antistructures. We anticipate our results to be an important step for the development of functional antiperovskite/perovskite heterostructures, combining their unique characteristics such as topological properties for ultralow-power applications.

摘要

由复合氧化物材料形成的工程异质结构是涌现现象和技术应用的丰富来源。在寻求新功能的过程中,一个尚未被广泛探索的途径是将氧化物钙钛矿与具有不同晶体化学性质的材料相结合。在此,我们提出了一类基于氮化物反钙钛矿和氧化物钙钛矿材料的独特异质界面,作为材料设计中一个此前未被识别的方向。我们展示了在氮化物反钙钛矿MnGaN与氧化物钙钛矿(LaSr)(AlTa)O和SrTiO之间制备原子级尖锐界面。利用原子分辨率成像/光谱技术和第一性原理计算,我们确定了界面处的原子尺度结构、组成和键合。外延反钙钛矿/钙钛矿异质界面由一个相干界面单分子层介导,该单分子层插在两种反结构之间。我们预计我们的结果将是开发功能性反钙钛矿/钙钛矿异质结构的重要一步,结合它们的独特特性,如用于超低功耗应用的拓扑性质。

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