论文标题

在高科技候选liznsb上的外延生长期间控制多态性(111)B(111)

Control of polymorphism during epitaxial growth of hyperferroelectric candidate LiZnSb on GaSb (111)B

论文作者

Du, Dongxue, Strohbeen, Patrick J., Paik, Hanjong, Zhang, Chenyu, Genser, Konrad, Rabe, Karin M., Voyles, Paul M., Schlom, Darrell G., Kawasaki, Jason K.

论文摘要

铁电器设备的一个主要挑战是去极化场,它在超薄膜的极限中与远程极阶竞争并经常摧毁。最近的理论预测表明,一种称为高纤维电气剂的新材料应与去极化场相对强大,并使铁电能降低到单层极限。在这里,我们通过分子梁在GASB(111)B底物上的分子束外延(111)B底物的六角形Liznsb(一种高液候选材料之一)的外延生长。由于所有三种原子物种的挥发性高,我们发现使用过量的锌通量可以在吸附控制的窗口中生长liznsb。在此窗口中,所需的极性六边形相对于竞争的立方多晶型物稳定,如X射线衍射和透射电子显微镜测量所示。第一原理计算表明,对于中等量的外延应变和中等浓度的LI空缺,地层liznsb相的地层能量低于六边形相,但每个公式单元仅需几个MEV。因此,我们建议动力学在低温下稳定所需的六边形相中发挥作用。我们的结果为实验证明了一类新的三元金属间化合物中的铁电和高层高发性提供了一种途径。

A major challenge for ferroelectric devices is the depolarization field, which competes with and often destroys long-range polar order in the limit of ultrathin films. Recent theoretical predictions suggest a new class of materials, termed hyperferroelectics, that should be robust against the depolarization field and enable ferroelectricity down to the monolayer limit. Here we demonstrate the epitaxial growth of hexagonal LiZnSb, one of the hyperferroelectric candidate materials, by molecular-beam epitaxy on GaSb (111)B substrates. Due to the high volatility of all three atomic species, we find that LiZnSb can be grown in an adsorption-controlled window, using an excess zinc flux. Within this window, the desired polar hexagonal phase is stabilized with respect to a competing cubic polymorph, as revealed by X-ray diffraction and transmission electron microscopy measurements. First-principles calculations show that for moderate amounts of epitaxial strain and moderate concentrations of Li vacancies, the cubic LiZnSb phase is lower in formation energy than the hexagonal phase, but only by a few meV per formula unit. Therefore we suggest that kinetics plays a role in stabilizing the desired hexagonal phase at low temperatures. Our results provide a path towards experimentally demonstrating ferroelectricity and hyperferroelectricity in a new class of ternary intermetallic compounds.

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