The magnetism of Fe4N/oxides (MgO, BaTiO3, BiFeO3) interfaces from first-principles calculations

Author:

Feng Nan1234,Mi Wenbo1234,Wang Xiaocha5678,Bai Haili1234

Affiliation:

1. Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology

2. Faculty of Science

3. Tianjin University

4. Tianjin 300072, China

5. Tianjin Key Laboratory of Film Electronic & Communicate Devices

6. School of Electronics Information Engineering

7. Tianjin University of Technology

8. Tianjin 300384, China

Abstract

n- and p-type doping of MgO are induced in contact with FeIFeII and (FeII)2N terminations of Fe4N, respectively. The metallic characteristics are induced in BaTiO3 by contact with FeIFeII termination, whereas p- and n-type doping appears in (FeII)2N/BaO and (FeII)2N/TiO2 interfaces, respectively. The interfacial dipole due to charge rearrangement may induce the Fermi level pinning in Fe4N/MgO and (FeII)2N/BaTiO3 interfaces. The deposition of Fe4N on BiFeO3 can result in a metallic BiFeO3.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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