标题:Stability and electronic structure studies of LaAlO3/SrTiO3(110) heterostructures
作者:Du, Yan-Ling ;Wang, Chun-Lei ;Li, Ji-Chao ;Xu, Pan-Pan ;Zhang, Xin-Hua ;Liu, Jian ;Su, Wen-Bin ;Mei, Liang-Mo
作者机构:[Du, Yan-Ling ;Wang, Chun-Lei ;Li, Ji-Chao ;Xu, Pan-Pan ;Zhang, Xin-Hua ;Liu, Jian ;Su, Wen-Bin ;Mei, Liang-Mo ] School of Physics, State Key Laborato 更多
通讯作者:Li, JC
来源:Chinese Physics B
出版年:2014
卷:23
期:8
DOI:10.1088/1674-1056/23/8/087302
摘要:The first-principles calculations are employed to investigate the stability, magnetic, and electrical properties of the oxide heterostructure of LaAlO3/SrTiO3(110). By comparing their interface energies, it is obtained that the buckled interface is more stable than the abrupt interface. This result is consistent with experimental observation. At the interface of LaAlO3/SrTiO3(110) heterostructure, the Ti - O octahedron distortions cause the Ti t2g orbitals to split into the two-fold degenerate dxz/dyzand nondegenerate dxyorbitals. The former has higher energy than the latter. The partly filled two-fold degenerate t2g orbitals are the origin of two-dimensional electron gas, which is confined at the interface. Lattice mismatch between LaAlO3and SrTiO3leads to ferroelectric-like lattice distortions at the interface, and this is the origin of spin-splitting of Ti 3d electrons. Hence the magnetism appears at the interface of LaAlO3/SrTiO3(110). © 2014 Chinese Physical Society and IOP Publishing Ltd.
收录类别:EI
资源类型:期刊论文
TOP