centrosymmetric structure and Spontaneous polarization
Posted: Fri Nov 16, 2012 9:38 am
Dear All,
I have to calculate the value of spontaneous polarization of some insulating ferroelectric compound. Previous literature says, I have to construct a centrosymmetric structure starting from that ferroelectric structure. Here, I have a question.
Is it possible to calculate this spontaneous polarization value without constructing that centrosymmetric structure ?
Is it possible to calculate the spontaneous polarization only from that ferroelectric phase ?
Because, it can happen that the centrosymmetric structure may not exit in the real world.
Thanking you,
Swarnakamal
I have to calculate the value of spontaneous polarization of some insulating ferroelectric compound. Previous literature says, I have to construct a centrosymmetric structure starting from that ferroelectric structure. Here, I have a question.
Is it possible to calculate this spontaneous polarization value without constructing that centrosymmetric structure ?
Is it possible to calculate the spontaneous polarization only from that ferroelectric phase ?
Because, it can happen that the centrosymmetric structure may not exit in the real world.
Thanking you,
Swarnakamal