Abstract
First-principles calculations are performed to investigate the structures, electrical, and magnetic properties of compressive BiFeO3 films under electric-field and pressure perpendicular to the films. A reversible electric-field-induced strain up 10% is achieved in the compressive BiFeO3 films. The giant strain originates from rhombohedral-tetragonal (R-T) phase transition under electric-filed, and is recoverable from tetragonal-rhombohedral (T-R) phase transition by compressive stress. Additionally, the weak ferromagnetism in BiFeO3 films is largely changed in R-T phase transition under electric-filed and T-R phase transition under pressure – reminiscent of magnetoelectric effect and magnetoelastic effect. These results suggest exciting device opportunities arising from the giant filed-induced strain, large magnetoelectric effect and magnetoelastic effect.
Highlights
First-principles calculations are performed to investigate the structures, electrical, and magnetic properties of compressive BiFeO3 films under electric-field and pressure perpendicular to the films
The weak ferromagnetism in BiFeO3 films is largely changed in R-T phase transition under electric-filed and T-R phase transition under pressure – reminiscent of magnetoelectric effect and magnetoelastic effect
High magnetic-field-induced strain was found in magnetic shape-memory alloy Ni-Mn-Ga based materials, which can be recovered by applying magnetic field and alternatively by mechanical compressive loading[1,2]
Summary
First-principles calculations are performed to investigate the structures, electrical, and magnetic properties of compressive BiFeO3 films under electric-field and pressure perpendicular to the films. High magnetic-field-induced strain was found in magnetic shape-memory alloy Ni-Mn-Ga based materials, which can be recovered by applying magnetic field and alternatively by mechanical compressive loading[1,2]. Piezoelectric materials are another kind of materials provide field-induce strain. The lead-free ferroelectric BiFeO3 (BFO) provides large polarization and a strain-driven morphotropic phase boundary (MPB) between tetragonal-like (T-) and rhombohedral-like (R-) phases[12,13] This MPB achieves field-induced strain of 5% by electric-filed induced interconverting between mixed-phase and pure T-phase[14]. By first-principles calculations, we predict an electric-field induced strain of 10% in epitaxial compressive BFO film due to phase transition from pure R-phase to pure T-phase, this strain can be recovered by mechanical compressive loading in the direction perpendicular to the film
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