Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO_3 under uniaxial compression

摘要

The ferroelectricity of rhombohedral PbTiO_3 under uniaxial compression is investigated from first-principles study. Upon compression, the ferroelectricity decreases until a critical stress of -29 GPa and then increases with a further increase of the magn