Ab Initio Study of Multiferroicity in La(Al,Fe,Cr)O$_3$

We present the results of \em ab initio \rm density functional calculations of perovskite-structure La(Al,Fe,Cr)O$_3$. Our calculations reveal two structurally distorted ground states of opposite polarization. Motivated by the growth of three-layer superlattices with enhanced polarization, we investigate the ferroelectricity and magnetic ordering of the La(Al,Fe,Cr)O$_3$ system with the goal of finding emergent multiferroicity due to interfacial strain and inversion symmetry breaking. Finally, we investigate constrained tetragonal LaAlO$_3$ to determine its role in the ferroelectric properties of the supercell.