X-ray spectra of some ternary crystal and glass semiconductors

XPS study of photo- and thermally-induced changes in amorphous Ge As40−S60

“…A hypothesis has been proposed that the lack of great differences between the spectra of the crystal and the amorphous film for one and the same composition may be due to the too small changes in their short-range order [25]. The overall similarity between the obtained VB spectra of the Ge 27 As 13 S 60 glass and of the films evaporated from it seems to confirm the statement that no great changes occur in the electronic structure of the investigated samples when the degree of disorder increases from glass to evaporated film.…”

Structure, electronic, and vibrational properties of amorphousAsS2andAgAsS2: Experimentally constrained density functional study

“…There are prominent peaks at −13 eV (S) and −4.1 eV (Ag) that are also present in our results. Furthermore, the K-band spectra of amorphous and crystalline AgAsS 2 are very similar [19]. The origin of the peaks has been determined by electronic structure calculations [52]onclusters with the bulk crystalline (smithite) structure [51].…”

“…Density functional calculations with the PBEsol approximation commonly lead to gaps in the spectrum of Kohn-Sham eigenvalues that are less than measured optical band gaps. The superposition of x-ray spectra (fluorescent K bands and L 23 emission bands of S) on a common energy scale [19,51] provide information about the density of states in c-AgAsS 2 (smithite). There are prominent peaks at −13 eV (S) and −4.1 eV (Ag) that are also present in our results.…”

“…Crystalline forms of the silver sulfarsenide AgAsS 2 occur in nature as smithite (monoclinic) [12] and trechmannite (rhombohedral) [13], and refinement of the original structures [12,13] has resulted in significantly better R factors [14]. Glasses along the Ag 2 S-As 2 S 3 tie line, including AgAsS 2 , have been studied by differential calorimetry and XRD [15], modulated differential scanning calorimetry and Raman spectroscopy [8], EXAFS [16], ND [17,18], and XRD [19]. Optical and photoemission studies [20] have been carried out on amorphous (a-) and crystalline (c-) AgAsS 2 .…”