论文标题

离子债券控制硝酸盐中的铁电行为

Ionic Bonds Control Ferroelectric Behavior in Wurtzite Nitrides

论文作者

Yazawa, Keisuke, Mangum, John, Gorai, Prashun, Brennecka, Geoff L., Zakutayev, Andriy

论文摘要

铁电性使关键的集成技术从非易失性记忆到精确的超声。 Wurtzite铁电AL1-XSCXN最近引起了人们的关注,因为它具有强大的铁电性和Si过程兼容性,此外是第一个已知的铁电wurtzite。但是,尚未完全了解葡萄兹材料中铁电的起源和控制。在这里,我们表明,根据我们的耦合实验和计算结果,局部键离离子性,而不是仅仅是四面体失真的变化是控制宏观铁电反应的关键。在SC <0.35范围内的组成梯度和AL1-XSCXN组合薄膜中的140-260 nm厚度中,由于与邻近晶体的弹性相互作用,纯wurtzite相不到SC含量,纯wurtzite相都表现出相似的C/A比。尽管C/A比率不变,但强制场和自发极化随着SC含量的增加而显着降低,这是由于SC-N相对于DFT计算支持的更高的AL-N键的离子键性质更大。基于这些见解,引入了离子性工程作为减少用于存储器和其他应用的AL1-XSCXN的强制性领域并控制其他Wurtzite中的铁电特性的方法。

Ferroelectricity enables key integrated technologies from non-volatile memory to precision ultrasound. Wurtzite ferroelectric Al1-xScxN has recently attracted attention because of its robust ferroelectricity and Si process compatibility in addition to being the first known ferroelectric wurtzite. However, the origin and control of ferroelectricity in wurtzite materials is not yet fully understood. Here we show that the local bond ionicity, rather than simply the change in tetrahedral distortion, is key to controlling the macroscopic ferroelectric response, according to our coupled experimental and computational results. Across the composition gradient in Sc < 0.35 range and 140-260 nm thickness in combinatorial thin films of Al1-xScxN, the pure wurtzite phase exhibits a similar c/a ratio regardless of the Sc content, due to elastic interaction with neighboring crystals. The coercive field and spontaneous polarization significantly decrease with increasing Sc content despite this invariant c/a ratio, due to the more ionic bonding nature of Sc-N relative to the more covalent Al-N bonds, supported by DFT calculations. Based on these insights, ionicity engineering is introduced as an approach to reduce coercive field of Al1-xScxN for memory and other applications and to control ferroelectric properties in other wurtzites.

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