论文标题

理解钙钛矿固体溶液的形态相位边界是一种沮丧的状态

Understanding the morphotropic phase boundary of perovskite solid solutions as a frustrated state

论文作者

Teh, Ying Shi, Li, Jiangyu, Bhattacharya, Kaushik

论文摘要

具有化学成分A(c $ _x $ d $ _ {1-x})$ o $ _3 $的钙钛矿固体溶液,具有过渡金属C和D替代地占据了钙钛矿晶格的B位点,在其介电,二极管,二极管和其他物业中具有吸引力。这些固体溶液的一个显着特征是\ emph {寄生相边界}(MPB),晶体对称性会改变的组成。至关重要的是,长期以来一直观察到,介电和压电以及极线在MPB处急剧增加的能力。尽管这激发了对钙钛矿MPB的大量研究,但有关疾病作用的许多重要问题仍未得到解答。我们使用基于随机场模型的新方法来解决这些问题,并具有远程相互作用,该模型包含了中尺度的物理学的基本元素。我们表明,MPB在这种方法中自然出现,是一种沮丧的状态,在两个明确的阶段之间交换了稳定性。具体而言,远距离相互作用抑制了远离MPB的组成的疾病,但在稳定交换时无法做到。此外,该方法还预测了许多实验观察到的特征,例如碎片结构域模式和在MPB处极好的能力。该模型的见解还表明,使用MPB具有强烈的铁电磁耦合的全新材料的可能性。

Perovskite solid solutions that have a chemical composition A(C$_x$D$_{1-x})$O$_3$ with transition metals C and D substitutionally occupying the B site of a perovskite lattice are attractive in various applications for their dielectric, piezoelectric and other properties. A remarkable feature of these solid solutions is the \emph{morphotropic phase boundary} (MPB), the composition across which the crystal symmetry changes. Critically, it has long been observed that the dielectric and piezoelectric as well as the ability to pole a ceramic increases dramatically at the MPB. While this has motivated much study of perovskite MPBs, a number of important questions about the role of disorder remain unanswered. We address these questions using a new approach based on the random-field Ising model with long-range interactions that incorporates the basic elements of the physics at the meso-scale. We show that the MPB emerges naturally in this approach as a frustrated state where stability is exchanged between two well-defined phases. Specifically, long-range interactions suppress the disorder at compositions away from MPB but are unable to do so when there is an exchange of stability. Further, the approach also predicts a number of experimentally observed features like the fragmented domain patterns and superior ability to pole at the MPB. The insights from this model also suggest the possibility of entirely new materials with strong ferroelectric-ferromagnetic coupling using an MPB.

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