Difference of electronic structures between SrTiO3 and BaTiO3

Citation
S. Matsushima et al., Difference of electronic structures between SrTiO3 and BaTiO3, J CERAM S J, 108(10), 2000, pp. 952-954
Citations number
15
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
JOURNAL OF THE CERAMIC SOCIETY OF JAPAN
ISSN journal
09145400 → ACNP
Volume
108
Issue
10
Year of publication
2000
Pages
952 - 954
Database
ISI
SICI code
0914-5400(200010)108:10<952:DOESBS>2.0.ZU;2-0
Abstract
X-ray photoemission spectroscopy (XPS) measurements were performed on SrTiO 3 and BaTiO3 single crystals with monochromated Al K alpha radiation. Valen ce band (VB) spectra of as-fractured SrTiO3 and BaTiO3 crystals exhibit two peaks arising from the O 2p pi and O 2p sigma bonding orbitals, From a par tial density of states (PDOS) calculation, it is found that O 2p orbitals f airly hybridize with Ba 5p orbitals, while do not almost hybridize with ato mic orbitals of Sr atom. This indicates that the nature of the chemical bon ding of Ba-O in BaTiO3 is more covalent than that of Sr-O in SrTiO3.