Janicka Karolina, Velev Julian P, Tsymbal Evgeny Y
Department of Physics, Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA.
Phys Rev Lett. 2009 Mar 13;102(10):106803. doi: 10.1103/PhysRevLett.102.106803. Epub 2009 Mar 10.
We perform density functional calculations to understand the mechanism controlling the confinement width of the two-dimensional electron gas (2DEG) at LaAlO_{3}/SrTiO_{3} interfaces. We find that the 2DEG confinement can be explained by the formation of metal induced gap states (MIGS) in the band gap of SrTiO3. These states are formed as the result of quantum-mechanical tunneling of the charge created at the interface due to electronic reconstruction. The attenuation length of the MIGS into the insulator is controlled by the lowest-decay-rate evanescent states of SrTiO3, as determined by its complex band structure. Our calculations predict that the 2DEG is confined in SrTiO3 within about 1 nm at the interface.
我们进行密度泛函计算,以了解控制LaAlO₃/SrTiO₃界面二维电子气(2DEG)限制宽度的机制。我们发现,2DEG的限制可以通过SrTiO₃带隙中金属诱导能隙态(MIGS)的形成来解释。这些态是由于界面处因电子重构而产生的电荷的量子力学隧穿而形成的。MIGS进入绝缘体的衰减长度由SrTiO₃的最低衰减率倏逝态控制,这由其复杂能带结构决定。我们的计算预测,2DEG在界面处被限制在SrTiO₃内约1 nm范围内。