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Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial compression or biaxial tension
First-principles computations are employed to investigate the electronic structures and optical absorption of rhombohedral BiFeO3 under uniaxial compression and biaxial tension. We find that the
Elastic properties of tetragonal BiFeO3 from first-principles calculations
Multiferroic BiFeO3 can exist in tetragonal G-type and C-type antiferromagnetic phases with a giant c/a ratio and polarizability. In this letter, the elastic constants cij's of these tetragonal
Tuning polarization and elasticity properties by uniaxial stress in BiFeO3
The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke-
Ferroelectricity and Elasticity of Rhombohedral BiFeO3 Under Uniaxial Stress
We report on first‐principles calculations of electric polarization in multiferroic rhombohedral BiFeO3 under the [111] uniaxial stress, and our results suggest that the polarization varies nearly