Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

被引：6
|
作者：
Nazir, S. [1 ]
Amin, B. [1 ]
Schwingenschloegl, U. [1 ]
机构：
[1] KAUST, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia
来源：
SCIENTIFIC REPORTS | 2013年 / 3卷
关键词：
D O I：
10.1038/srep03409
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
Cation intermixing at the n-type polar LaGaO3/SrTiO3 ( 001) interface is investigated by first principles calculations. Ti double left right arrow Ga, Sr double left right arrow La, and SrTi double left right arrow LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d(xy) orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.
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页数：5
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