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We investigate the critical size of ferroelectricity in monolayer tin telluride (SnTe) nanoribbon by using ab initio (first-principles) density functional theory calculations. The edge of SnTe nanoribbon tends to suppress the ferroelectricity and the edge effect ranges within the 4 unit cells (~1.8 nm) from the edge. In nanoribbons, ferroelectric polarizations decrease monotonically with decreasing nanoribbon width. Ferroelectricity finally disappears in nanoribbons with 4 unit-cell width or less. This signifies that the ferroelectric critical size of SnTe nanoribbon is 4 unit cells (1.8 nm) due to the edge effect. However, the ferroelectricity of nanoribbon below the critical width is restored under uniaxial tensile strain along the [100] direction. Thus, the critical width of ferroelectric disappearance can be eliminated by tensile strain. Our results indicate that the lattice width ferroelectric material can be mechanically realized by tensile strain.

In authors group, functional ceramics materials e.g., Li ion battery materials (domain atomic structure and its influence on battery properties), ferroelectric materials (ferroelectricity in wurtzite crystal structure) were studied using modern first-principle calculations. In this paper, our recent studies were explained. The possibilities and challenges of next generation materials informatics were also discussed. [ABSTRACT FROM AUTHOR]

Ferroelectric behavior in mechanically strained SrTiO3 nanoporous is investigated using phase-field models. We find, in the paraelectric nanoporous, periodically arrayed ferroelectric nano-region is formed due to strain concentration, namely, polarization vortices emerge around each pore. Each ferroelectric region expands and connects each other with increasing strain, and ferroelectric network is finally formed. Since these ferroelectric regions can be regarded as a periodically arrayed ferroelectric nanomaterial embedded in a paraelectric material, this result means that periodically arrayed ferroelectric nanostructure, which may lead to novel functionalities, can be tailored through mechanical load. In addition, we find that the variation of load changes the geometrical characteristics of the ferroelectric structure such as shape and direction. Our finding provides a new concept to engineer future ferroelectric nanodevices by giving a new role to mechanical load.