THEORETICAL-STUDY OF OPTICAL AND ULTRAVIOLET PHOTOEMISSION SPECTRA OFSRTIO3

Authors
KRASOVSKA OV KRASOVSKII EE ANTONOV VN
Citation
Ov. Krasovska et al., THEORETICAL-STUDY OF OPTICAL AND ULTRAVIOLET PHOTOEMISSION SPECTRA OFSRTIO3, Solid state communications, 97(12), 1996, pp. 1019-1023
Citations number
24
Categorie Soggetti
Physics, Condensed Matter
Journal title
Solid state communications → ACNP
ISSN journal
00381098
Volume
97
Issue
12
Year of publication
1996
Pages
1019 - 1023
Database
ISI
SICI code
0038-1098(1996)97:12<1019:TOOAUP>2.0.ZU;2-Y
Abstract
We present the results of the self-consistent ELAPW calculation of the band structure of SrTiO3. The ground-state eigenvalues and wavefuncti ons obtained within the local-density approximation (LDA) are used to calculate optical spectra in the photon energy range up to 30 eV and t he photoelectron energy distribution curves (EDC's) for (h) over bar o mega=21.2 and 40.8 eV. The results are compared with optical, X-ray ab sorption and ultraviolet photoemission measurements. A good agreement with experiment is obtained.