Supertetragonal -induced giant ferroelectricity in superlattices
Phys. Rev. B 112, 024108 – Published 22 July, 2025
DOI: https://doi.org/10.1103/m965-jscp
Abstract
The perovskite has an Sn -orbital conduction band minimum, which makes it of interest as a transparent-conducting oxide parent compound but also contraindicates the ferroelectric instability characteristic of the related compound . In this work, we studied the effect of (001) compressive strain on using first-principles methods. We found that, with low compressive strain, symmetry breaking takes cubic to a nonpolar tetragonal state, with a first-order phase transition to a hidden highly polarized ferroelectric supertetragonal state at ∼−5%. Based on the facts that the mismatch of the lattice constant in experiment between and is ∼−5.2% and coherent growth of on has been experimentally realized for layers thinner than 3 unit cells, we studied a series of superlattices with 1 or 2 unit cells of and several unit cells of . We found that the superlattices are ferroelectric with large polarizations. We propose that the origin of ferroelectricity in the superlattices is the mechanical and electrical coupling of the and layers, with the polarized supertetragonal state of induced by compressive strain from the layers and polarization of the layers by the polar layers. Due to the distinctive electronic states in the layers, the realization of ferroelectricity holds promise for the design of electronic devices.