The flexoelectricity of barium and strontium titanates from first principles.
نویسندگان
چکیده
We present ab initio calculations of the longitudinal flexoelectricity for BaTiO(3) and SrTiO(3) using a direct approach. The calculated value for SrTiO(3) agrees with recently reported measurements. For BaTiO(3), however, the theoretical values are smaller than the measured ones; possible reasons for the discrepancy are discussed.
منابع مشابه
First - principles study of lattice instabilities in Ba x Sr 1 − x TiO 3
Using first-principles calculations based on a variational density functional perturbation theory, we investigate the lattice dynamics of solid solutions of barium and strontium titanates. Averaging the information available for the related pure compounds yields results equivalent to those obtained within the virtual crystal approximation, providing frequencies which are a good approximation to...
متن کاملFirst-principles theory of frozen-ion flexoelectricity
We demonstrate that the frozen-ion contribution to the flexoelectric coefficient is given solely in terms of the sum of third moments of the charge-density distortions induced by atomic displacements, even for ferroelectric or piezoelectric materials. We introduce several practical supercell-based methods for calculating these coefficients from first principles, and demonstrate them by computin...
متن کاملSynthesis and characterization of Barium Strontium Titanate (BST) micro/nanostructures prepared by improved methods
Nowadays various methods are presented for synthesis of barium strontium titanate (BST) nanopowders with different morphology and properties. Each of these (BST)s has got individual characterization that makes it suitable for a special application. Every method has a special quality, causes it to have preference over the other methods. Low processing temperature is a desired point which most of...
متن کاملSynthesis and characterization of Barium Strontium Titanate (BST) micro/nanostructures prepared by improved methods
Nowadays various methods are presented for synthesis of barium strontium titanate (BST) nanopowders with different morphology and properties. Each of these (BST)s has got individual characterization that makes it suitable for a special application. Every method has a special quality, causes it to have preference over the other methods. Low processing temperature is a desired point which most of...
متن کاملA flexoelectric microelectromechanical system on silicon.
Flexoelectricity allows a dielectric material to polarize in response to a mechanical bending moment and, conversely, to bend in response to an electric field. Compared with piezoelectricity, flexoelectricity is a weak effect of little practical significance in bulk materials. However, the roles can be reversed at the nanoscale. Here, we demonstrate that flexoelectricity is a viable route to le...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Journal of physics. Condensed matter : an Institute of Physics journal
دوره 22 11 شماره
صفحات -
تاریخ انتشار 2010