Dear Swapnil, piezoelectricity is a bulk property. No supercells are needed. See e.g.: R.M. Martin, PRB 5, 1607 (1972), http://link.aps.org/doi/10.1103/PhysRevB.5.1607 S. de Gironcoli et al., Phys. Rev. Lett. 62, 2853?2856 (1989), http://link.aps.org/doi/10.1103/PhysRevLett.62.2853
Regards, SB , On Oct 11, 2011, at 6:47 PM, swapnil chandratre wrote: > Hi, > > I want to understand the concept of piezoelectricity in Espresso, I have some > doubts, > > Is it necessary that in order to observe the phenomenon in direct manner (ie > application of strain to get polarization), i need to create vaccum in the > direction of polarization? or i can work with periordic systems, and observe > polarization.? > > With respect to the same, if i want to see the effect of field on length > dimension of input geometry, I have to proceed with applying vaccum in that > direction.? > > Is my understanding of the approach incorrect ? can anyone help me understand > it better. > > -- > Regards, > Swapnil Chandratre > Graduate Student > Dept. of Mechanical Engineering, > University of Houston, > Houston, TX > (M)-713-294-9546 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111011/39bbaec6/attachment-0001.htm
