In order to enhance the magnetoelectric property of LaFeO₃, we have considered co-substitution of Al³⁺ and Ti⁴⁺ in La³⁺ and Fe³⁺ sites. Rietveld refinement of the observed XRD patterns confirms that the pristine (LaFeO₃, LFO) crystallizes in orthorhombic Pbnm (centrosymmetric) space group whereas the doped samples (La_0.9Al_0.1Fe_0.9Ti_0.1O₃, LAFTO) crystallizes in orthorhombic Pna2₁ (non-centrosymmetric) space group due to co-doping of Al³⁺- Ti⁴⁺ in LFO. Analysis of magnetic data confirms the antiferromagnetic phase of LFO and LAFTO possess ferrimagnetic spin structure with enhanced magnetization. Besides this ferroelectric polarization at room temperature is also improved in the co-doped sample of LAFTO (Pmax = 0.25 µC/cm²). Spontaneous polarization is predicted from first principle calculation for LAFTO to be ~ 12.31 µC/cm². The dielectric loss factor of LAFTO reduces significantly and the dielectric strength is also enhanced compared to that of LFO. Experimental results are in agreement with these findings extracted from ab initio calculations using density functional theory. The present doped sample LAFTO has improved magnetic, dielectric, ferroelectric properties and magnetoelectric coupling compared to that of LFO, would have the high potential for applications in multiferroic devices.

为了增强LaFeO ₃的磁电性能，我们考虑了在La ³⁺和Fe ³⁺位上Al ³⁺和Ti ^4+的共取代。所观察到的X射线衍射图案确认原始的Rietveld精修（载LaFeO ₃，LFO）结晶在斜方晶系为Pbnm（中心对称）空间群，而掺杂的样品（LA _0.9的Al _0.1铁_0.9的Ti _0.1 ø ₃，LAFTO）结晶在正交PNA 2 ₁ Al ³⁺ -Ti的共掺杂导致（非中心对称）空间群LFO中⁴⁺。磁性数据的分析证实了LFO和LAFTO的反铁磁相具有增强了磁化强度的亚铁自旋结构。此外，在LAFTO的共掺杂样品中（Pmax = 0.25 µC / cm ²），室温下的铁电极化也得到了改善。根据LAFTO的第一性原理计算，自发极化约为〜12.31 µC / cm ^2。。与LFO相比，LAFTO的介电损耗因子显着降低，介电强度也得到增强。实验结果与使用密度泛函理论从头算计算中得出的这些发现是一致的。与LFO相比，本掺杂样品LAFTO具有改善的磁性，介电，铁电特性和磁电耦合，在多铁性器件中具有很高的应用潜力。