论文标题

平面外限制对氧化物中二维电子系统的量子干扰效应

Quantum interference effects of out-of-plane confinement on two-dimensional electron systems in oxides

论文作者

Santander-Syro, A. F., Dai, J., Rödel, T. C., Frantzeskakis, E., Fortuna, F., Weht, R., Rozenberg, M. J.

论文摘要

最近发现,在某些绝缘氧化物的表面形成了导电的金属状态。首先在Srtio $ _3 $(001)上观察到,然后在其他化合物中发现了像Anatase Tio $ _2 $,KTAO $ _3 $,BATIO $ _3 $,ZnO,ZnO,以及在SRTIO $ _3 $(或其他氧化物)不同符号的不同表面上的多样化。该电子状态的波函数的空间扩展仅为少数原子层。实验表明其存在与氧化物表面或附近诱导的氧空位有关。在本文中,我们提出了一个简化的模型,旨在描述其小空间扩展对通过角度分辨光发射光谱(ARPES)测量其3D电子结构测量的影响。为了清楚起见,我们将讨论基于简单的紧密结合方案,以及被认为是由氧气空位引起的限制电势。然而,我们的模型参数是从密度功能计算中获得的。通过这种方法,我们可以从一个非常简单的选择性干扰的概念中解释“摇摆”,即,沿着平面外($ k_z $)方向的费米表面和光谱的光发射强度调制和/或明显的分散,以及在某些实验中观察到的“混合的2D/3D”特征。我们得出的结论是,这种效果的临界模型参数是每个频段电子跳跃的相对强度以及表面限制电势的高度/宽度纵横比。通过在我们的发现中考虑最新的光发射测量,我们可以获取有关电子波函数和限制电位性质的相关信息。

It was recently discovered that a conductive, metallic state is formed on the surface of some insulating oxides. Firstly observed on SrTiO$_3$(001), it was then found in other compounds as diverse as anatase TiO$_2$, KTaO$_3$, BaTiO$_3$, ZnO, and also on different surfaces of SrTiO$_3$ (or other oxides) with different symmetries. The spatial extension of the wave function of this electronic state is of only a few atomic layers. Experiments indicate its existence is related to the presence of oxygen vacancies induced at or near the surface of the oxide. In this article we present a simplified model aimed at describing the effect of its small spatial extension on measurements of its 3D electronic structure by angular resolved photoemission spectroscopy (ARPES). For the sake of clarity, we base our discussion on a simple tight binding scheme plus a confining potential that is assumed to be induced by the oxygen vacancies. Our model parameters are, nevertheless, obtained from density functional calculations. With this methodology we can explain from a very simple concept of selective interference the "wobbling", i.e., the photoemission intensity modulation and/or apparent dispersion of the Fermi surface and spectra along the out-of-plane ($k_z$) direction, and the "mixed 2D/3D" characteristics observed in some experiments. We conclude that the critical model parameters for such an effect are the relative strength of the electronic hopping of each band and the height/width aspect ratio of the surface confining potential. By considering recent photoemission measurements under the light of our findings, we can get relevant information on the electronic wave functions and of the nature of the confining potential.

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