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X‐ray Photoelectron Spectra and Electronic Structure of Bi 2 S 3 Crystals
Author(s) -
Grigas J.,
Talik E.,
Lazauskas V.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200208)232:2<220::aid-pssb220>3.0.co;2-f
Subject(s) - x ray photoelectron spectroscopy , fermi level , valence (chemistry) , spectral line , electronic structure , single crystal , crystal (programming language) , photoemission spectroscopy , atmospheric temperature range , chemistry , electronic band structure , materials science , atomic physics , condensed matter physics , crystallography , nuclear magnetic resonance , physics , computational chemistry , electron , organic chemistry , quantum mechanics , astronomy , computer science , meteorology , programming language
The paper presents the X‐ray photoelectron spectra (XPS) of the valence band and core levels of the semiconductive Bi 2 S 3 single crystal, which shows anomalies in various physical properties and weak phase transitions without change of symmetry. The XPS were measured with monochromatized Al K α radiation in the energy range 0–1400 eV and the temperature range 160–460 K. The valence band is located 0.55–6.5 eV below the Fermi level and shows non‐linear dependence on temperature. Experimental energies of the valence band and core levels are compared with the results of theoretical ab initio calculations of the molecular model of the Bi 2 S 3 crystal. The chemical shifts in the Bi 2 S 3 crystal for the Bi and S states are obtained. Results revealed the origin of a weak polarity of the crystals at room temperature, which results in anomalies in the physical properties, and shifts the Fermi level and all the electronic spectrum.