Varignon Julien, Bristowe Nicholas C, Bousquet Eric, Ghosez Philippe
Physique Théorique des Matériaux, Université de Liège (B5), B-4000 Liège, Belgium.
Department of Materials, Imperial College London, London SW7 2AZ, UK.
Sci Rep. 2015 Oct 20;5:15364. doi: 10.1038/srep15364.
Perovskite oxides are already widely used in industry and have huge potential for novel device applications thanks to the rich physical behaviour displayed in these materials. The key to the functional electronic properties exhibited by perovskites is often the so-called Jahn-Teller distortion. For applications, an electrical control of the Jahn-Teller distortions, which is so far out of reach, would therefore be highly desirable. Based on universal symmetry arguments, we determine new lattice mode couplings that can provide exactly this paradigm, and exemplify the effect from first-principles calculations. The proposed mechanism is completely general, however for illustrative purposes, we demonstrate the concept on vanadium based perovskites where we reveal an unprecedented orbital ordering and Jahn-Teller induced ferroelectricity. Thanks to the intimate coupling between Jahn-Teller distortions and electronic degrees of freedom, the electric field control of Jahn-Teller distortions is of general relevance and may find broad interest in various functional devices.
钙钛矿氧化物已在工业中广泛应用,由于这些材料展现出丰富的物理行为,它们在新型器件应用方面具有巨大潜力。钙钛矿所展现的功能电子特性的关键通常是所谓的 Jahn-Teller 畸变。对于应用而言,目前尚无法实现的对 Jahn-Teller 畸变的电学控制将非常可取。基于普遍的对称性论证,我们确定了能够提供这种范例的新晶格模式耦合,并通过第一性原理计算例证了这种效应。所提出的机制是完全通用的,然而为了说明目的,我们在基于钒的钙钛矿上展示了这一概念,在其中我们揭示了前所未有的轨道有序性以及 Jahn-Teller 诱导的铁电性。由于 Jahn-Teller 畸变与电子自由度之间的紧密耦合,对 Jahn-Teller 畸变的电场控制具有普遍相关性,并且可能在各种功能器件中引起广泛关注。