Enhancement of piezoelectricity in a mixed ferroelectric

Details Enhancement of piezoelectricity in a mixed ferroelectric Enhancement of piezoelectricity in a mixed ferroelectric

1997-12-18

arxiv.org/abs/cond-mat/9712232v1

Physics

Condensed Matter

Materials Science

5 pages, revtex, 2 eps figures

Scientific paper

10.1103/PhysRevB.57.R13973

We use first-principles density-functional total energy and polarization calculations to calculate the piezoelectric tensor at zero temperature for both cubic and simple tetragonal ordered supercells of Pb_3GeTe_4. The largest piezoelectric coefficient for the tetragonal configuration is enhanced by a factor of about three with respect to that of the cubic configuration. This can be attributed to both the larger strain-induced motion of cations relative to anions and higher Born effective charges in the tetragonal case. A normal mode decomposition shows that both cation ordering and local relaxation weaken the ferroelectric instability, enhancing piezoelectricity.

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