Electric field tunable half-metallic characteristic at Fe3O4/BaTiO3 interfaces12. Issue 6 (24th January 2017)

• Record Type: Journal Article
• Authors: Hou, Xueyao; Wang, Xiaocha; Chen, Guifeng; Mi, Wenbo
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 6(2017)
• Page Start: 4330
• Page End: 4336
• Publication Date: 2017-01-24
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp07858c
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The interfacial electronic structure of Fe3 O4 /BaTiO3 heterostructures was investigated using first-principles calculations. Abstract : The interfacial electronic structure of Fe3 O4 /BaTiO3 heterostructures was investigated using first-principles calculations. Owing to the two TiO-polarization directions, FeB O-terminated models show different interfacial binding strengths. Compared with the OTi–FeB O model, the TiO–FeB O model shows a spin polarization of 100% due to the hybridization effect of Ti 3d and FeB 3d at the Fermi level, which can be modulated by the electric field and TiO polarization directions. Negative electric field can control the strength of the hybridization of the interfacial Ti and O with FeB, but the positive electric field has no significant effect on it. The tunable high spin polarization at Fe3 O4 /BaTiO3 interfaces has potential applications in spintronic devices.