Controlling the density of the two-dimensional electron gas at the SrTiO3/LaAlO3 interface

被引：83
|
作者：
Janotti, A. [1 ]
Bjaalie, L. [1 ]
Gordon, L. [1 ]
Van de Walle, C. G. [1 ]
机构：
[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA
来源：
PHYSICAL REVIEW B | 2012年 / 86卷 / 24期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1103/PhysRevB.86.241108
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5 electrons per unit cell). However, experimentally observed densities are more than an order of magnitude lower. Using a combination of first-principles and Schrodinger-Poisson simulations we show that the problem lies in the asymmetric nature of the structure, i.e., the inability to form a second LAO/STO interface that is a mirror image of the first, or to fully passivate the LAO surface. Our insights apply to oxide interfaces in general, explaining for instance why the SrTiO3/GdTiO3 interface has been found to exhibit the full density of 3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108
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页数：5
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