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arXiv 2203.03522cond-mat.mtrl-sci
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氧化物超晶格中极化涡旋晶体的熔化与手征相变

Melting of Polarization Vortices Crystals and Chiral Phase Transitions in Oxide Superlattices

Fernando Gómez-Ortiz, Pablo García-Fernández, Juan M. López, Javier Junquera

摘要:

用第二原理方法研究了(PbTiO $_3$)$_n$ /(SrTiO $_3$)$_n$超晶格中极化涡旋的平衡排列.我们发现,在低温下,极化涡组织在一个规则的安排,顺时针和逆时针方向的旋涡交替的位置,从而导致一个晶体状的结构,具有明确的手性。这种手性晶体在临界温度$T_\mathrm{M}$下熔化成手性液体,其中长程序丢失,但手性保留。在甚至更高的温度下,$T_\mathrm{C}$,发生第二个相变,在此极化涡旋的手性液体失去其旋向性。这两种相变都可以通过适当选择序参量来识别。

英文摘要:

We study the equilibrium arrangements of polarization vortices in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices by means of second-principles simulations. We find that, at low temperatures, polarization vortices organize in a regular arrangement in which clockwise and counter-clockwise vortices alternate positions, leading to a crystal-like structure with well defined handedness. This chiral crystal melts at a critical temperature $T_\mathrm{M}$ into a chiral liquid, where long-range order is lost but handedness is preserved. At even higher temperatures, $T_\mathrm{C}$, a second phase transition occurs, at which the chiral liquid of polarization vortices loses its handedness. Both phase transitions can be readily identified by the adequate choices of order parameters.

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