论文标题
通过紧张的Eutio $ _ {3} $实现强铁电金属的实现
Realization of A Strong Ferroelectric Metal by Nb-doping in Strained EuTiO$_{3}$
论文作者
论文摘要
铁电（Fe）金属由于具有金属性和铁电性（两种看似不兼容的物理特性）而引起了人们的注意。基本研究和潜在应用的一个重要问题是如何实现强大的铁金属。一种策略是将强大的FE绝缘子涂成Fe金属，前提是诱导的自由电子不会破坏FE失真。紧张的Eutio $ _ {3} $胶片是强大的FE Ferromagnet，也是这种策略的有前途的候选人。在这里，我们使用混合密度功能的理论计算NB掺杂的Eutio $ _ {3} $膜的结构，电子和极化特性。结果表明，紧张的Euti $ _ {0.875} $ nb $ _ {0.125} $ o $ $ _ {3} $胶片是一种强大的Fe金属，因为NB掺杂会引起金属性，而不会削弱FE失真。讨论了金属性和强铁电性共存的基本原子机制。调查结果表明，将掺杂和应变工程结合在一起是实现新的Eutio $ _ {3} $的一种有前途的方法 - 基于强的Fe Metals，并且也可以用于其他材料中。
Ferroelectric (FE) metals have been attracting attention as they possess both metallicity and ferroelectricity, the two seemingly incompatible physical properties. An important problem for both fundamental research and potential applications is how to realize a strong FE metal. One strategy is to dope a strong FE insulator into an FE metal provided that the induced free electrons do not destroy FE distortion. Strained EuTiO$_{3}$ film is a strong FE ferromagnet and a promising candidate for such a strategy. Here, we calculate the structural, electronic, and polarization properties of Nb-doped strained EuTiO$_{3}$ film using the hybrid density-functional theory. The results show that the strained EuTi$_{0.875}$Nb$_{0.125}$O$_{3}$ film is a strong FE metal as the Nb doping induces metallicity without weakening the FE distortion. The underlying atomistic mechanism of the coexistence of metallicity and strong ferroelectricity is discussed. The findings show that combining doping and strain engineering is a promising way to realize new EuTiO$_{3}$-based strong FE metals and may be used in other materials as well.
