The effect of oxygen vacancies on the properties of polar and nonpolar (001) LaAlO3/SrTiO3 heterostructures

Xue, Yuanbin1,2,3; Guo, Yao1; Hou, Shaogang1; Niu, Yongsheng1

2018-08-30

10.1016/j.apsusc.2018.04.136

APPLIED SURFACE SCIENCE   影响因子和分区

0169-4332

1873-5584

By using first-principles calculations, we investigated the influence of oxygen vacancy (Vo) on the (001) LaAlO3/SrTiO3 ( LAO/STO) heterostructures. Our results show that the effect of Vo on the properties of LAO/STO depends on the polarity of the system. In the polar LAO films Vo screens the internal electric field, which hinders the formation of two-dimensional electronic gas at the interface. Vo cannot reduce the critical thickness of the insulator-to-metal transition although it provides excess electrons. By contrast, in the nonpolar LAO films the metallic states are always maintained regardless of the position of Vo, but Vo causes electronic reconstruction near the Fermi level, and the distribution of conductive electrons differs greatly from the Vo-free case. (C) 2018 Elsevier B. V. All rights reserved.

Oxygen vacancy Two-dimensional electronic gas Boundary condition Electronic reconstruction

SCI ; EI

英语

其他

National Natural Science Foundation of China[21302003]

Chemistry ; Materials Science ; Physics

Chemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter

WOS:000433199000030

ELSEVIER SCIENCE BV

20181905144666

Boundary conditions ; Calculations ; Conductive films ; Electric fields ; Metal insulator transition ; Phase interfaces

Electricity: Basic Concepts and Phenomena:701.1 ; Conducting Materials:708.2 ; Physical Chemistry:801.4 ; Mathematics:921 ; Crystalline Solids:933.1

MATERIALS SCIENCE

Web of Science

1.Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China
2.South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China
3.Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Hubei, Peoples R China

Xue, Yuanbin,Guo, Yao,Hou, Shaogang,et al. The effect of oxygen vacancies on the properties of polar and nonpolar (001) LaAlO3/SrTiO3 heterostructures[J]. APPLIED SURFACE SCIENCE,2018,450:260-264.

Xue, Yuanbin,Guo, Yao,Hou, Shaogang,&Niu, Yongsheng.(2018).The effect of oxygen vacancies on the properties of polar and nonpolar (001) LaAlO3/SrTiO3 heterostructures.APPLIED SURFACE SCIENCE,450,260-264.

Xue, Yuanbin,et al."The effect of oxygen vacancies on the properties of polar and nonpolar (001) LaAlO3/SrTiO3 heterostructures".APPLIED SURFACE SCIENCE 450(2018):260-264.