H-doped PbTiO3: Structure and electronic properties

The geometry and electronic properties of the interstitial H atom in the tetragonal PbTiO3 crystal have been studied using an advanced quantum chemical computer code developed for the modeling of crystals. The inserted H atom was found to bind to one of the O atoms and to form the hydroxyl, O - H gr...

• 1. autor: Stashans, A. (author)
• Kolejni autorzy: Rivera Escobar, R. (author)
• Format: article
• Wydane: 2006
• Hasła przedmiotowe: Ferroelectric polarization
• Dostęp online: http://dspace.utpl.edu.ec/handle/123456789/19291