volume 695 pages 3170-3177

Electronic structure of single-crystal solid solutions Pb1-Ba TiO3 (0 ≤ x ≤ 1) from X-ray photoelectron spectroscopy and real-space multiple electron scattering calculations

Publication typeJournal Article
Publication date2017-03-01
scimago Q1
wos Q1
SJR1.192
CiteScore11.8
Impact factor6.3
ISSN09258388, 18734669
Materials Chemistry
Metals and Alloys
Mechanical Engineering
Mechanics of Materials
Abstract
Valence band and core level X-ray photoelectron spectra (XPS) are measured in single-crystal solid solutions Pb 1- x Ba x TiO 3 ( x  = 0, 0.021, 0.146, 0.24, 0.541, 0.784, 0.906, 1). Valence band densities of states (DOS) and theoretical valence band XPS are calculated for Pb 1- x Ba x TiO 3 ( x  = 0, 0.12, 0.25, 0.5, 0.875, 1) via the method of multiple electron scattering in real space. Experimental and theoretical valence band XPS are in good agreement. The increase of ionicity of the Ti O bonds in Pb 1- x Ba x TiO 3 upon the growth of relative Ba content x is predicted theoretically and shown experimentally using the energy position of the charge transfer satellites in the Ti2p XPS. The increase of Ti2p-spectrum line widths against relative Ba content x is observed.
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Kozakov A. et al. Electronic structure of single-crystal solid solutions Pb1-Ba TiO3 (0 ≤ x ≤ 1) from X-ray photoelectron spectroscopy and real-space multiple electron scattering calculations // Journal of Alloys and Compounds. 2017. Vol. 695. pp. 3170-3177.
GOST all authors (up to 50) Copy
Kozakov A., Kochur A., Polozhentsev O. E., Nikolskii A. Electronic structure of single-crystal solid solutions Pb1-Ba TiO3 (0 ≤ x ≤ 1) from X-ray photoelectron spectroscopy and real-space multiple electron scattering calculations // Journal of Alloys and Compounds. 2017. Vol. 695. pp. 3170-3177.
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TY - JOUR
DO - 10.1016/j.jallcom.2016.11.326
UR - https://linkinghub.elsevier.com/retrieve/pii/S0925838816338075
TI - Electronic structure of single-crystal solid solutions Pb1-Ba TiO3 (0 ≤ x ≤ 1) from X-ray photoelectron spectroscopy and real-space multiple electron scattering calculations
T2 - Journal of Alloys and Compounds
AU - Kozakov, A.T.
AU - Kochur, Andrei
AU - Polozhentsev, O E
AU - Nikolskii, A.V.
PY - 2017
DA - 2017/03/01
PB - Elsevier
SP - 3170-3177
VL - 695
SN - 0925-8388
SN - 1873-4669
ER -
BibTex
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BibTex (up to 50 authors) Copy
@article{2017_Kozakov,
author = {A.T. Kozakov and Andrei Kochur and O E Polozhentsev and A.V. Nikolskii},
title = {Electronic structure of single-crystal solid solutions Pb1-Ba TiO3 (0 ≤ x ≤ 1) from X-ray photoelectron spectroscopy and real-space multiple electron scattering calculations},
journal = {Journal of Alloys and Compounds},
year = {2017},
volume = {695},
publisher = {Elsevier},
month = {mar},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0925838816338075},
pages = {3170--3177},
doi = {10.1016/j.jallcom.2016.11.326}
}