Periodic slab LAPW computations for ferroelectric BaTiO3

Periodic Slab LAPW Computations for Ferroelectric BaTiO3

Linearized augmented plane wave (LAPW) calculations are performed for periodic (001) and (111) slabs of BaTiO3 to understand the effects of surfaces on ferroelectric BaTiO3. The (111) slab is found to be much less stable than the (001) slab. The average surface energies are respectively 3700 erg/cm and 1600 erg/cm. The depolarization field is sufficiently large in the ideal unrelaxated slab to ...

Surface Effects in Ferroelectrics: Periodic Slab Computations for BaTiO3

Total energies, electronic structure, surface energies, polarization, potentials and charge densities were studied for slabs of BaTiO3 using the Linearized Augmented Plane Wave (LAPW) method. The depolarization field inhibits ferroelectricity in the slabs, and the macroscopic field set up across a ferroelectric slab is sufficient to cause electronic states to span the gap and give a metallic ba...

Inverse barocaloric effects in ferroelectric BaTiO3 ceramics

Electrical and Optical Property of Ferroelectric BaTiO3:Eu

We studied various electrical and optical properties of Europium (1 atomic %) incorporated BaTiO3 film on n-Si(100) substrate. The thin film structure was analyzed by X-ray diffraction. Film thickness and optical refractive index were measured with an ellipsometer. P-E hysteresis measurement shows the remnant polarization of 37μC/cm in BaTiO3:Eu film. C-V measurements on the pure BaTiO3 film sh...

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO3

F. Chen,1,2 Y. Zhu,3 S. Liu,4,5 Y. Qi,4 H. Y. Hwang,6 N. C. Brandt,6 J. Lu,6 F. Quirin,7 H. Enquist,8 P. Zalden,2 T. Hu,9 J. Goodfellow,9 M.-J. Sher,9,2 M. C. Hoffmann,10 D. Zhu,10 H. Lemke,10 J. Glownia,10 M. Chollet,10 A. R. Damodaran,11 J. Park,12 Z. Cai,3 I. W. Jung,13 M. J. Highland,14 D. A. Walko,3 J. W. Freeland,3 P. G. Evans,12 A. Vailionis,15 J. Larsson,16 K. A. Nelson,6 A. M. Rappe,4 ...