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arXiv 1503.07039cond-mat.mes-hallcond-mat.mtrl-sci
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铁电界面二维电子气形成模型

Model of two-dimensional electron gas formation at ferroelectric interfaces

Pablo Aguado-Puente, Nicholas. C. Bristowe, Binglun Yin, Raku Shirasawa, Philippe Ghosez, Peter B. Littlewood, Emilio Artacho

摘要:

由于极性不连续性,在氧化物界面处形成二维电子气,由于它引起的各种有趣的效应,产生了大量的活性。在这里,我们研究在什么情况下,类似的过程也可以发生在铁电薄膜下面。我们使用一个简单的朗道模型来证明,在没有外在的屏蔽机制的单畴相可以稳定在铁电薄膜通过电子重建。与LaAlO $_3$ /SrTiO $_3$异质结构不同,界面处自由电荷随厚度的出现是不连续的。通过对独立式PbTiO $_3$板进行第一原理模拟,证实了这一预测。该模型也被用来预测系统的响应所施加的电场,证明了二维电子气可以不连续地和非挥发性的方式打开和关闭。此外,极化的反转可以用来在二维电子气和二维空穴气之间切换,这两种气体原则上应该具有非常不同的传输特性。我们讨论了极化域的可能形成,以及这种配置如何与界面处的自由电荷的自发积累竞争。

英文摘要:

The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here we study under what circumstances similar processes can also take place underneath ferroelectric thin films. We use a simple Landau model to demonstrate that in the absence of extrinsic screening mechanisms a monodomain phase can be stabilized in ferroelectric films by means of an electronic reconstruction. Unlike in the LaAlO$_3$/SrTiO$_3$ heterostructure, the emergence with thickness of the free charge at the interface is discontinuous. This prediction is confirmed by performing first principles simulations of free standing slabs of PbTiO$_3$. The model is also used to predict the response of the system to an applied electric field, demonstrating that the two-dimensional electron gas can be switched on and off discontinuously and in a non-volatile fashion. Furthermore, the reversal of the polarization can be used to switch between a two-dimensional electron gas and a two-dimensional hole gas, which should, in principle, have very different transport properties. We discuss the possible formation of polarization domains and how such configuration competes with the spontaneous accumulation of free charge at the interfaces.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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