Title :
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
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 (1×1) 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;
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
DOI :
10.1109/INEC.2010.5424924
