First principles study of magnetic properties of EuTiO3(001) Surfaces with oxygen-deficient

Author

Wu, Ting-Yuan ; Cao, Hai-Xia ; Fang, Lang

Author_Institution

Dept. of Phys., Soochow Univ., Suzhou, China

fYear

2011

fDate

24-27 July 2011

Firstpage

1

Lastpage

3

Abstract

We have investigated the magnetic reconstruction at the oxygen-deficient EuTiO₃ (001) surface based on the first-principles density functional theory calculations. Calculated results show that the ferromagnetic structure becomes stable with and without the oxygen vacancies for EuO-termination surface. Besides, for TiO₂-termination surface, it is interesting to see that the G-type antiferromagnetic state is stable without the oxygen vacancies, but the ferromagnetic state becomes stable while the oxygen vacancies appear, which is independent of the concentrations of oxygen vacancies.

Keywords

ab initio calculations; antiferromagnetic materials; density functional theory; europium compounds; ferromagnetic materials; magnetic structure; vacancies (crystal); EuTiO₃; G-type antiferromagnetic state; ferromagnetic state; ferromagnetic structure; first-principles density functional theory; magnetic properties; magnetic reconstruction; oxygen vacancies; oxygen-deficient surfaces; Couplings; Frequency modulation; Magnetic field induced strain; Magnetic properties; Magnetoelectric effects; Surface reconstruction; Surface treatment; EuTiO3; GGA+U; magnetism;

fLanguage

English

Publisher

ieee

Conference_Titel

Applications of Ferroelectrics (ISAF/PFM), 2011 International Symposium on and 2011 International Symposium on Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials

Conference_Location

Vancouver, BC

Print_ISBN

978-1-4577-1162-6

Electronic_ISBN

978-1-4577-1161-9

Type

conf

DOI

10.1109/ISAF.2011.6014123

Filename

6014123