On Converse Piezoelectricity
We review theoretical treatments of large regular non-conducting systems exposed to an electrostatic field. The field will induce a structural change (our primary focus) that depends noticeably upon the surfaces no matter how large the system. Interestingly, the surface effect can be determined by treating the system as infinite and periodic, even though no surfaces are present in that case. Accurate results are presented for a simple model that verify and illustrate our infinite periodic treatment. Approximate calculations are also carried out for a couple of real materials. The breakdown of our treatment for metals is analyzed and, on the basis of that analysis, our approach is extended to account for the strain induced by a metal short-circuiting the opposite surfaces of a semiconductor/insulator.
KeywordsDipole Moment Electrostatic Field Permanent Dipole Moment Wannier Function Dipole Moment Operator
One of the authors (MS) is very grateful to the International Center for Materials Research, University of California, Santa Barbara, for generous hospitality. Another author (JV) is very grateful to CONACYT, Mexico, and DAAD, Germany, for financial support. Moreover, this work was supported financially by the German Research Council (DFG) through project Sp439/37. We thank Adlane Sayede, Université Lille Nord de France, France, for the ab initio results behind our discussion in Sect. 18.3.2 and Stanislaw Krukowski, Polish Academy of Sciences, Warsaw, Poland, for discussions about the system of Sect. 18.5.