Turkish Journal of Physics
Abstract
We present state of art first-principles study on the static and dynamic properties of BaTiO_3, a typical ferroelectric material. Here, structure, equation of state, phase stability, and phase transformations of BaTiO_3 studied in Generalized Gradient Approximation. Furthermore, properties such as, Born effective charges, optical dielectric constant and phonon spectra are calculated from Density Functional Perturbation Theory.
DOI
-
First Page
277
Last Page
285
Recommended Citation
ULUDOĞAN, MUSTAFA and ÇAĞIN, TAHİR (2006) "First Principles Approach to BaTiO_3," Turkish Journal of Physics: Vol. 30: No. 4, Article 7. Available at: https://journals.tubitak.gov.tr/physics/vol30/iss4/7