论文标题

朝向功能化的超薄氧化物膜:表面顶端氧的影响

Toward Functionalized Ultrathin Oxide Films: the Impact of Surface Apical Oxygen

论文作者

Gabel, Judith, Pickem, Matthias, Scheiderer, Philipp, Dudy, Lenart, Leikert, Berengar, Fuchs, Marius, Stübinger, Martin, Schmitt, Matthias, Küspert, Julia, Sangiovanni, Giorgio, Tomczak, Jan M., Held, Karsten, Lee, Tien-Lin, Claessen, Ralph, Sing, Michael

论文摘要

过渡金属氧化物的薄膜为以新的电子功能为特征的硅纳米级电子设备打开了通往纳米级电子设备的门户。尽管这种薄膜通常是在氧气气氛中制备的,但通常认为它们是理想地终止于化学计量组成的。以原型相关的金属srvo $ _3 $为例,可以证明,理想化的描述可忽略一种基本成分:在表面顶端位点吸附的氧气。甚至在超高真空环境中仍然存在的氧气量也会严重影响过渡金属氧化物膜的内在电子结构。它们的存在导致形成电子死层的表面层,但也改变了薄膜中的带填充和电子相关性。这些发现强调,重要的是要考虑表面顶端氧或 - mutatis mutandis - 由封盖层施加的特定氧构型,以预测单个单位细胞极限附近过渡金属氧化物的超薄薄膜的行为。

Thin films of transition metal oxides open up a gateway to nanoscale electronic devices beyond silicon characterized by novel electronic functionalities. While such films are commonly prepared in an oxygen atmosphere, they are typically considered to be ideally terminated with the stoichiometric composition. Using the prototypical correlated metal SrVO$_3$ as an example, it is demonstrated that this idealized description overlooks an essential ingredient: oxygen adsorbing at the surface apical sites. The oxygen adatoms, which persist even in an ultrahigh vacuum environment, are shown to severely affect the intrinsic electronic structure of a transition metal oxide film. Their presence leads to the formation of an electronically dead surface layer but also alters the band filling and the electron correlations in the thin films. These findings highlight that it is important to take into account surface apical oxygen or -- mutatis mutandis -- the specific oxygen configuration imposed by a capping layer to predict the behavior of ultrathin films of transition metal oxides near the single unit-cell limit.

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