Physical Sciences and Mathematics Commons^™

Static And Dynamical Properties Of Ferroelectrics And Related Material In Bulk And Nanostructure Forms, Zhigang Gui

Graduate Theses and Dissertations

Ferroelectrics (FE) and multiferroics (MFE) have attracted a lot of attentions due to their rich and novel properties. Studies towards FE and MFE are of both fundamental and technological importance. We use a first-principles-based effective Hamiltonian method, conventional ab-initio packages and linear-scale three-dimension fragment method to investigate several important issues about FE and MFE. Tuning the properties of FE and MFE films are essential for miniaturized device applications, which can be realized through epitaxial strain and growth direction. In this dissertation, we use the effective Hamiltonian method to study (i) BaTiO 3 films grown along the (110) pseudocubic direction on …