Structural effect of LaAlO3/SrTiO3 interface on electronic properties: Ab-initio calculations

Author

Park, Hayan ; Park, Hong-Lae ; Chung, Yong-Chae

Author_Institution

Dept. of Mater. Sci. & Eng., Hanyang Univ., Seoul, South Korea

fYear

2010

Firstpage

1254

Lastpage

1255

Abstract

The structural aspects of LaAlO₃/SrTiO₃ heterostructure were investigated in detail to explain the electronic properties of interface. Cell volume change, atomic displacements were calculated for the (1Ã—1) LaAlO₃(m unit cells, m=3, 5)/SrTiO₃ (4 unit cells) system using ab-initio method. Both of LaAlO₃ and SrTiO₃ cells were stretched in longitudinal directions. The oxygen atoms in the cells moved to n-type interface and the movement, consequently, could be entered to contribute the conductivity of n-type interface.

Keywords

ab initio calculations; band structure; electrical conductivity; lanthanum compounds; strontium compounds; LaAlO₃-SrTiO₃; ab-initio calculations; atomic displacements; cell volume change; electrical conductivity; heterostructure; n-type interface; oxygen atoms; structural effect; Atomic layer deposition; Conductivity; Density functional theory; Electronics packaging; Kinetic energy; Lattices; Linear discriminant analysis; Materials science and technology; Plasma welding; Slabs;

fLanguage

English

Publisher

ieee

Conference_Titel

Nanoelectronics Conference (INEC), 2010 3rd International

Conference_Location

Hong Kong

Print_ISBN

978-1-4244-3543-2

Electronic_ISBN

978-1-4244-3544-9

Type

conf

DOI

10.1109/INEC.2010.5424924

Filename

5424924