Phase diagram of ultrathin Pb(Zr0.5Ti0.5)O3 films under strain

Zhongqing Wu; Ningdong Huang; Jian Wu; Wenhui Duan; Bing-Lin Gu
May 2005
Applied Physics Letters;5/16/2005, Vol. 86 Issue 20, p202903
Academic Journal
Using a first-principles-based approach, we investigate the strain–temperature phase diagram of Pb(Zr0.5Ti0.5)O3 ultrathin film without surface charge screening. We find that the compressive strain dramatically affects the sequence of phase transitions, and observe a rich variety of ferroelectric phases, including a monoclinic phase and a stripe domain forbidden in the bulk crystal. The vortex stripe structure leads to an unusual characteristic of the phase diagram.


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