The X-ray absorption at the K-edge of titanium in cubic perovskites BaTiO3 and SrTiO3 and in TiO2 (rutile) has been measured using synchrotron radiation. A detailed analysis of the fine structure components requires a description in terms of crystalline density of conduction-band states rather than a localized molecular cluster approach. Experimental values for the diatomic transfer integrals (pdσ), (pdπ) and (sdσ) and for the average Ti 3d bandwidths are derived and compared with theoretical estimates. The d orbitals of alkali-earth ions are found to contribute to the upper bands well above the t2g−eg conduction bands. The effect of the finite photon momentum on the transition probability is briefly discussed.
K-edge absorption of titanium in the perovskites SrTiO3, BaTiO3 and TiO2 / A., Balzarotti; F., Comin; L., Incoccia; Piacentini, Mario; S., Mobilio; A., Savoia. - In: SOLID STATE COMMUNICATIONS. - ISSN 0038-1098. - STAMPA. - 35:2(1980), pp. 145-149. [10.1016/0038-1098(80)90232-x]
K-edge absorption of titanium in the perovskites SrTiO3, BaTiO3 and TiO2
PIACENTINI, Mario;
1980
Abstract
The X-ray absorption at the K-edge of titanium in cubic perovskites BaTiO3 and SrTiO3 and in TiO2 (rutile) has been measured using synchrotron radiation. A detailed analysis of the fine structure components requires a description in terms of crystalline density of conduction-band states rather than a localized molecular cluster approach. Experimental values for the diatomic transfer integrals (pdσ), (pdπ) and (sdσ) and for the average Ti 3d bandwidths are derived and compared with theoretical estimates. The d orbitals of alkali-earth ions are found to contribute to the upper bands well above the t2g−eg conduction bands. The effect of the finite photon momentum on the transition probability is briefly discussed.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
