E nhancement of F erroelectrics : S train - engineered F erroelectric T hin F ilms Hongling Lu B S J In 1920, Joseph Valasek discovered that the polarization of the compound known as Rochelle Salt could be reversed by application of an external electric field. In effect, he was the first to recognize ferroelectric properties in a crystal. Ferroelectric materials are generally defined as those whose spountaneous polarization can be reversed through the application of an external electric field (Scott, 2007). (Fig. 1) Figure 1: Perovskite oxides, of general formula ABO3 with a pseudocubic structure, where A and B are two different cations, furnish many interesting ferroelectrics. The B-type cation is octahedrally coordinated with oxygen. In the example shown, BaTiO3, it is the relative symmetry breaking displacement of the Ti atoms with respect to the O atoms which is responsible for the spontaneous polarization. BaTiO3 has three ferroelectric phases: tetragonal, orthorhombic and rhombohedral. (Oxides. (n.d.). Strain engineering is a strategy employed in exploring the special behavior of ferroelectric materials where a strained layer of ferroelectric epitaxially grown with respect to the crystalline substrate layer.(Eom et al., 2008) (Fig. 2) Figure 2: Before deposition, the structure is in an (a) unstrained state. When deposited on a substrate the energetic preference of the deposited atoms to follow the underlying substrate (epitaxy) can result in the film beginning in either (b) biaxial compression or (c) biaxial tension (Schlom, Chen, Fennie, Gopalan, Muller, Pan, Uecker, 2014) This process creates a strained state. Under this strained state, the properties of the ferroelectric film differ greatly compared to the bulk ferroelectric, in a way that makes it suitable for use in applications such as memory storage on microchips. Before strain engineering, researchers used chemical alloying or doping to manipulate the properties of bulk ferroelectrics. A typical 0.1% strain--stretching of material to a length 0.1% “Strain engineering is a strategy employed in exploring the special behavior of ferroelectric materials where a strained layer of ferroelectric epitaxially grown with respect to the crystalline substrate layer.” At first, ferroelectric devices were restricted to bulk materials, but in the 1980s, thin-film, a technology utilizing extremely thin layers of material, was developed. The focus of ferroelectric study has since moved from bulk properties to its thin-film properties, especially with the promise of using ferroelectric materials in computer microchips, a type of thin- film technology. Ferroelectric materials with spontaneous polarization due to the special arrangement of atoms in a lattice structure exhibit interesting pyroelectric and piezoelectric properties and have, therefore, attracted a lot of scientific attentions. greater than the original length--will cause bulk ferroic oxides to crack. Epitaxial strain has the advantage of resulting in a more durable and ideally disorder-free film. Strain field is the electric field that results from a strained lattice structure, and in strain engineering, differences in lattice parameters between the epitaxial film and the underlying substrate are what create the strain of the overall thin-film material. Past decades have seen a rapid progress in algorithms and calculations for analyzing thin-film ferroelectrics. Some of the methods include first principles calculations(determining electronic structure by solving Schrodinger’s equation), 3 • B erkeley S cientific J ournal • S ymmetry • F all 2015 • V olume 20 • I ssue 1