Electronic Structure of Rare-Earth Scandates from X-Ray Spectroscopy and First-Principles Calculations

Autor(en): Postnikov, A. V.
Derks, C.
Kuepper, K.
Neumann, M.
Stichwörter: band gap; emission; HIGH-K DIELECTRICS; Materials Science; Materials Science, Multidisciplinary; Perovskites; Physics; Physics, Condensed Matter; X-ray absorption
Erscheinungsdatum: 2012
Herausgeber: TAYLOR & FRANCIS LTD
Journal: FERROELECTRICS
Volumen: 438
Startseite: 45
Seitenende: 54
Zusammenfassung: 
Combined spectroscopic techniques were applied to the study of valence band, conduction band, and core levels (by X-ray emission, absorption, and X-ray photoelectron spectroscopy, correspondingly) of seven scandium/lanthanide (Pr to Dy) double oxides. A comparison of O K-emission and absorption spectra, brought to the same energy scale, permits to extract the band gap values by a method different from optical spectroscopy. The variation of band gap value over the row of scandates with different lanthanides is not monotonous. An inverse correlation is detected between the band gap value and the mean Sc-O bond length.
Beschreibung: 
11th International Symposium on Ferroic Domains and Micro-to Nanoscopic Structures, Russia-CIS-Baltic-Japan Symposium (ISFD-RCBJSF)on Ferroelectricity, Ekaterinburg, RUSSIA, AUG 20-24, 2012
ISSN: 00150193
DOI: 10.1080/00150193.2012.743833

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