Electric field tunable half-metallic characteristic at Fe3O4/BaTiO3 interfaces‡

Literature Information

Publication Date 2017-01-06
DOI 10.1039/C6CP07858C
Impact Factor 3.676
Authors

Xueyao Hou, Xiaocha Wang, Guifeng Chen, Wenbo Mi


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Abstract

The interfacial electronic structure of Fe3O4/BaTiO3 heterostructures was investigated using first-principles calculations. Owing to the two TiO-polarization directions, FeBO-terminated models show different interfacial binding strengths. Compared with the OTi–FeBO model, the TiO–FeBO 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 Fe3O4/BaTiO3 interfaces has potential applications in spintronic devices.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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