Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight

Abstract

The main advantage of using ferroelectric materials as a component of complex heterostructures is the ability to tune various properties of the whole system by means of an external electric field. In particular, the electric field may change the polarization direction within the ferroelectric material and consequently affect the structural properties, which in turn affects the electronic and magnetic properties of the neighboring material. In addition, ferroelectrics allow the electrostriction phenomenon to proceed, which is promising and can be used to affect the magnetic states of the interface state in the heterostructure through a magnetic component. The interfacial phenomena are of great interest, as they provide extended functionality useful for next-generation electronic devices. Following the idea of utilizing ferroelectrics in heterostructural components in the present works, we consider 2DEG, the Rashba effect, the effect of magnetoelectric coupling, and magnetostriction in order to emphasize the advantages of such heterostructures as components of devices. For this purpose, model systems of LaMnO3/BaTiO3, La2CuO4/BaTiO3, Bi/BaTiO3, and Bi/PbTiO3, Fe/BaTiO3 heterostructures are investigated using density functional theory calculations.