Ferromagnetic-like closure domains in ferroelectric ultrathin films
Ferromagnetic-like closure domains in ferroelectric ultrathin films
复制标题
铁电超薄膜中的类铁磁闭合域
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
J. Junquera
中科院分区：
文献类型：
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作者：
P. Aguado;J. Junquera
本文从第一性原理出发，模拟了在两个金属SrRuO_3 $电极之间短路时，由少量BaTiO_3 $单元构成的电容器中铁电畴的能量、结构和电子性质。畴稳定下来，以两个单位电池，采用封闭的域的形式，常见的铁磁体，但最近才在铁电薄膜实验检测。在电极的第一SrO层中的原子的面内弛豫使畴闭合，其行为在高度可极化的SrTiO$_3$中比在金属SrRuO$_3 $中更像SrO。即使很小，这些横向位移是必不可少的稳定域，并可能提供一些线索，以解释为什么有些系统打破域，而其他人仍然在一个单域配置。静电势的分析揭示了铁电电极界面处的带电缺陷的钉扎的优先点，可能在膜疲劳中起主要作用。
We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO$_3$ between two metallic SrRuO$_3$ electrodes in short circuit. The domains are stabilized down to two unit cells, adopting the form of a domain of closure, common in ferromagnets but only recently detected experimentally in ferroelectric thin films. The domains are closed by the in-plane relaxation of the atoms in the first SrO layer of the electrode, that behaves more like SrO in highly polarizable SrTiO$_3$ than in metallic SrRuO$_3$. Even if small, these lateral displacements are essential to stabilize the domains, and might provide some hints to explain why some systems break into domains while others remain in a monodomain configuration. An analysis of the electrostatic potential reveals preferential points of pinning for charged defects at the ferroelectric-electrode interface, possibly playing a major role in films fatigue.
DOI：
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发表时间：
2006
期刊：
影响因子：
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作者：
植木保昭;ら;S.U. Lee;V.N. Nemykin;V.N.Nemykin;A.Kasuya;Y.Kawazoe
通讯作者：
Y.Kawazoe