Splitting of the XPS in Ferroelectric SbSI Crystals

Abstract

The paper presents the X-ray photoelectron spectra (XPS) of the valence band and core levels of the ferroelectric SbSI single crystal. Results revealed the new phenomenon-splitting of the core levels at the phase transition temperature T cl . The XPS are measured with monochromatized Al K α radiation in the energy range 0-1400 eV and the temperature range 130-330 K. Experimentally obtained energies are compared with the results of theoretical ab initio calculations. This is the first observation of the splitting of the XPS in a ferroelectric crystal. The mechanism of the XPS splitting in SbSI crystals is discussed.

Optical properties and local structure of (As2S3)100-x(SbSI)x glasses

“…This facilitates possible breaking and alteration of the chemical bonds Sb-S, Sb-I, As-І and As-S in the binary structural clusters, with formation of triple chain basic units of SbS 2/2 І. The latter can be attributed to appearance of crystalline antimony sulfoiodide [12]. This conclusion is confirmed by the results for the Raman spectra and the crystallograms of the glass ceramics [5,11].…”

Theoretical investigation of the electronic structure of a ferroelectric SbSI cluster at a phase transition

“…In Grigas et al [13], the authors present the X-ray photoelectron spectra (XPS) of the VB and CL of the SbSI single crystals. The XPS are measured in the energy range 0-1400 eV and the temperature range 130-330 K. They compared experimentally obtained energies of CL with the results of theoretical ab initio calculations.…”

“…To explain it we need a more precise calculation of the contribution of separate atoms to the total density of states. The authors [12,13] had measured X-ray photoelectron emission spectra (XPS) of the SbSI crystals of valence bands (VB) and core levels (CL). XPS results showed the splitting of the CL [12].…”

The influence of obtaining and heat treatment conditions on the structure of As2S3-SbSI system

“…In this case, Raman spectra performed in 180-degree geometry using a spectrophotometer 24 an existence in the matrix of As 2 S 3 -SbSI glasses the certain amount of structural fragments with homopolar bonds As -As and S -S . In Raman spectra of studied glasses, there were not observed the features that could indicate the existence in the matrix of glasses the ternary chain structural units of SbS 2/2 I, which built the crystalline lattice of SbSI [1,23]. Raman spectra and Xray powder diffraction patterns of the annealed glasses demonstrated the features that were characteristic for crystalline SbSI [8,9,18].…”