VO2粗花呢中的金属稀释二聚化
Metallic Diluted Dimerization in VO2 Tweeds
摘要：
二氧化钒（VO 2），一种典型的电子相关氧化物，电子相分离织构的观察，最近增加了新的观点长期存在的争论，其金属-绝缘体转变及其应用。然而，缺乏原子解决的信息相伴随这样的复杂模式仍然阻碍了全面理解的过渡和它的实现在实际设备。在这项工作中，原子分辨率成像和光谱揭示了铁弹性粗花呢结构的存在~5 nm的长度尺度，远低于目前采用的光谱成像技术的分辨率限制。此外，密度泛函理论计算表明，这种精细的粗花呢是由金属结构形成的，该金属结构由部分二聚的V-链形成，其平均表现为四方晶系（金红石），但局部是单斜晶系。这些观察结果表明，金属/绝缘体共存之间的低对称形式的VO 2是由晶格自由度，并提供了一个多尺度的角度来解释现有的数据，从而相共存和结构混合可以发生所有的方式下降到原子尺度。
英文摘要：
The observation of electronic phase separation textures in vanadium dioxide (VO2), a prototypical electron-correlated oxide, has recently added new perspectives on the long standing debate about its metal-insulator transition and its applications. Yet, the lack of atomically-resolved information on phases accompanying such complex patterns still hinders a comprehensive understanding of the transition and its implementation in practical devices. In this work, atomic resolution imaging and spectroscopy unveils the existence of ferroelastic tweed structures on ~5 nm length scales, well below the resolution limit of currently employed spectroscopic imaging techniques. Moreover, density functional theory calculations show that such fine tweeds are formed by a metallic structure, formed by partially dimerized V-chains, that appears tetragonal (rutile) on average, but is locally monoclinic. These observations suggest that the metal/insulator coexistence among low-symmetry forms of VO2 is driven by lattice degrees of freedom, and provide a multiscale perspective for the interpretation of existing data, whereby phase coexistence and structural intermixing can occur all the way down to the atomic scale.
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