  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- Ernzerhof revised for solids
(PBEsol) + U approach, and compared with available measurements or predictions.
A large ferroelectric polarization of 87.5 ?C=cm2 is found, agreeing with other
theoretical and experimental values, and the polarization changes near-linearly
within the uniaxial stress range of 8 GPa to -8 GPa. This property can be used
to indirectly control the radiative recombination of luminous organ and the
electrical properties of transistor structure. In addition, we have also
investigated the elastic stiffness coefficients and the elastic compliance
coefficients in the same uniaxial stress range, which provide helpful guidance
for the applications of BiFeO3.
