Abstract
Biaxial-strain effect emerges as one of leading topics for the strong influence on interfacial properties of nanoscale thin films. The tunable electronic characteristics in strained Fe3O4/BaTiO3 heterostructure have been investigated by first-principles calculation. Two models (OTi-FeBO and TiO-FeBO) are considered in the calculation, which is different in polarization directions of ferroelectric BaTiO3. Tunable half-metallicity (HM) and orbital rearrangement of interfacial layers are found in strained OTi-FeBO. The HM to insulator transition can be attributed to the orbital rearrangement of interfacial interaction. The interfacial properties are modulated by different biaxial-strains and the HM to insulator transition mechanism at different strain is proposed. The research is useful in ferroelectric memories application.
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