Title: Simulation of the OH group location in the cubic phase of BaTiO crystals.
Authors: Yatsenko, A.
Abstract: An investigation of the isolated OH group location in the nonpolar phase of barium titanate crystals and an analysis of lattice local strains have been performed using computer simulation. It is shown that the presence of the OH group leads to the formation of a polarized cluster with a rather high electric dipole moment.
Subjects: HYDROXYL group; BARIUM titanate; SIMULATION methods & models; CRYSTAL lattices; STRAINS & stresses (Mechanics); COMPUTER simulation; DIPOLE moments
Publication: Crystallography Reports, 2012, Vol 57, Issue 2, p264
ISSN: 1063-7745
Publication type: Academic Journal
DOI: 10.1134/S1063774512020253

Simulation of the OH group location in the cubic phase of BaTiO crystals.

Yatsenko, A.