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'Head-to-head' and 'tail-to-tail' 180-degree domain walls in an isolated ferroelectric

机译:“头对头”和“尾巴到尾”的180度域墙在一个孤立的   铁电

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摘要

"Head-to-head" and "tail-to-tail" 180-degree domain-walls in a finiteisolated ferroelectric sample are theoretically studied using Landau theory.The full set of equations, suitable for numerical calculations is developed.The explicit expressions for the polarization profile across the walls arederived for several limiting cases and wall-widths are estimated. It is shownanalytically that different regimes of screening and different dependences forwidth of charged domain walls on the temperature and parameters of the systemare possible, depending on spontaneous polarization and concentration ofcarriers in the material. It is shown that the half-width of charged domainwalls in typical perovskites is about the nonlinear Thomas-Fermiscreening-length and about one order of magnitude larger than the half-width ofneutral domain-walls. The formation energies of "head-to-head" walls underdifferent regimes of screening are obtained, neglecting the poling ability ofthe surface. It is shown that either "head-to-head" or "tail-to-tail"configuration can be energetically favorable in comparison with the monodomainstate of the ferroelectric if the poling ability of the surface is largeenough. If this is not the case, the existence of charged domain walls in bulkferroelectrics is merely a result of the domain-growth kinetics. Size-effectcorresponding to the competition between state with charged domain wall, singledomain state, multidomain state, and the state with the zero polarization isconsidered. The results obtained for the case of an isolated ferroelectricsample were compared with the results for an electroded sample. It was shownthat charged domain wall in electroded sample can be either metastable orstable, depends on the work function difference between electrodes andferroelectric and the poling ability of the electrode/ferroelectric interface.
机译:利用Landau理论对有限隔离铁电样品中的``头对头''和``尾对尾''180度畴壁进行了理论研究,开发了适用于数值计算的全套方程式。推导了几种极限情况下壁的极化分布,并估算了壁宽。分析表明,取决于材料中载流子的自发极化和浓度,可能有不同的筛选方式以及带电畴壁宽度对系统温度和参数的不同依赖性。结果表明,典型钙钛矿中带电畴壁的半宽度大约是非线性的Thomas-Fermiscreening-length,并且比中性畴壁的半宽度大大约一个数量级。忽略了表面的极化能力,获得了在不同筛选方式下“头对头”壁的形成能。已经表明,如果表面的极化能力足够大,则与铁电体的单畴态相比,“头对头”或“尾对尾”构型在能量上是有利的。如果不是这种情况,则体铁电体中带电畴壁的存在仅仅是畴生长动力学的结果。考虑具有带电畴壁的状态,单畴状态,多畴状态和零极化状态之间竞争的尺寸效应。将隔离的铁电样品的结果与带电样品的结果进行比较。结果表明,带电样品中的带电畴壁可以是亚稳态的,也可以是稳定的,取决于电极与铁电之间的功函数差异以及电极/铁电界面的极化能力。

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