Fundamental asymmetry in interfacial electronic reconstruction between insulating oxides: An ab initio study

被引：54

作者：

Chen, Hanghui ^{[1
,3
]}

Kolpak, Alexie M. ^{[2
,3
]}

Ismail-Beigi, Sohrab ^{[1
,2
,3
]}

机构：

[1] Yale Univ, Dept Phys, New Haven, CT 06511 USA

[2] Yale Univ, Dept Appl Phys, New Haven, CT 06511 USA

[3] Yale Univ, CRISP, New Haven, CT 06511 USA

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 16期

基金：

美国国家科学基金会;

关键词：

ab initio calculations; energy gap; hopping conduction; interface states; lanthanum compounds; metal-insulator transition; strontium compounds; HETEROSTRUCTURES;

D O I：

10.1103/PhysRevB.79.161402

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present an ab initio study of the (001) interfaces between two insulating perovskites, the polar LaAlO3 and the nonpolar SrTiO3. We observe an insulating-to-metallic transition above a critical LaAlO3 thickness. We explain that the high conductivity observed at the TiO2/LaO interface and the lack of similar conductivity at the SrO/AlO2 interface are inherent in the atomic geometry of the system. A large interfacial hopping matrix element between cations causes the formation of a bound electron state at the TiO2/LaO interface. This mechanism for the formation of interfacial bound states suggests a robust means for tuning conductivities at various oxide heterointerfaces.

引用

页数：4

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