双钙钛矿Y $_2$ NiMnO $_6$多铁性的理论预测
Theoretical prediction of multiferroicity in double perovskite Y$_2$NiMnO$_6$
摘要：
在{ \it ab initio}密度泛函计算的基础上，提出了R $_2$ NiMnO $_6$族（其中$R$为稀土原子）双钙钛矿结构作为一类新的多铁性材料.我们发现，改变$R$从La到Y驱动的基态从铁磁反铁磁与$\uparrow\uparrow\downarrow\downarrow$自旋模式。这种$^*$型的有序化破坏了反转对称性，产生了少量$μC/cm^2$的铁电极化.通过分析模型的哈密顿量，我们了解这种转变的微观起源，并表明，外部电场可以用来调整过渡，从而使电气控制的磁化。
英文摘要：
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the ground-state from ferromagnetic to antiferromagnetic with $\uparrow\uparrow\downarrow\downarrow$ spin patterns. This E$^*$-type ordering breaks inversion symmetry and generates a ferroelectric polarization of few $μC/cm^2$. By analyzing a model Hamiltonian we understand the microscopic origin of this transition and show that an external electric field can be used to tune the transition, thus allowing electrical control of the magnetization.
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