Title :
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
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;
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
DOI :
10.1109/ISAF.2011.6014123
