Coulomb interaction and ferroelectric instability of BaTiO3

Details Coulomb interaction and ferroelectric instability of BaTiO3 Coulomb interaction and ferroelectric instability of BaTiO3

1996-01-08

arxiv.org/abs/mtrl-th/9601001v1

Physics

Condensed Matter

Materials Science

9 pages, 4 tables, 1 figure

Scientific paper

10.1209/epl/i1996-00404-8

Using first-principles calculations, the phonon frequencies at the $\Gamma$ point and the dielectric tensor are determined and analysed for the cubic and rhombohedral phases of BaTiO$_{3}$. The dipole-dipole interaction is then separated \`a la Cochran from the remaining short-range forces, in order to investigate their respective influence on lattice dynamics. This analysis highlights the delicate balance of forces leading to an unstable phonon in the cubic phase and demonstrates the extreme sensitivity of this close compensation to minute effective charge changes. Within our decomposition, the stabilization of the unstable mode in the rhombohedral phase or under isotropic pressure has a different origin.

Affiliated with

Also associated with

No associations

Rating

Coulomb interaction and ferroelectric instability of BaTiO3 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Coulomb interaction and ferroelectric instability of BaTiO3, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Coulomb interaction and ferroelectric instability of BaTiO3 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-703447