2013
DOI: 10.1016/j.jnoncrysol.2013.04.032
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Ab initio and Raman study of medium range ordering in GeSe2 glass

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Cited by 35 publications
(22 citation statements)
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“…, and it should be noted that the peak at 125 cm −1 is the artificial peak due to the superposition of the decreasing flank of the background and the filter implemented in the FT apparatus. Raman spectra of the present ChGs correlate well with the spectra reported earlier from other Se–ChGs . The main peak can be assigned to the overlapping of the vibration modes of Ge–Se bonds (~195 cm −1 ) and Sn‐Se bonds (~184 cm −1 ) in corner‐shearing tetrahedral units.…”
Section: Resultssupporting
confidence: 86%
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“…, and it should be noted that the peak at 125 cm −1 is the artificial peak due to the superposition of the decreasing flank of the background and the filter implemented in the FT apparatus. Raman spectra of the present ChGs correlate well with the spectra reported earlier from other Se–ChGs . The main peak can be assigned to the overlapping of the vibration modes of Ge–Se bonds (~195 cm −1 ) and Sn‐Se bonds (~184 cm −1 ) in corner‐shearing tetrahedral units.…”
Section: Resultssupporting
confidence: 86%
“…Raman spectra of the present ChGs correlate well with the spectra reported earlier from other Se-ChGs. [23][24][25] The main peak can be assigned to the overlapping of the vibration modes of Ge-Se bonds (~195 cm À1 ) and Sn-Se bonds (~184 cm À1 ) in corner-shearing tetrahedral units. The second largest band at~260 cm À1 is assigned to the characteristic vibration of Se-Se bonds in Se n chains or rings.…”
mentioning
confidence: 99%
“…The result of curve fitting of Raman spectra at 202cm -1 of Ge-Se cluster model of R. Holomb et al [35] indicates that, the peak located at ~ 204.1cm -1 is in very good accordance with the Raman mode at 204/205cm -1 calculated for six-membered rings and larger ring like Ge n Se m cluster topologically similar with the high temperature (HT) GeSe 2 .…”
Section: Raman Investigationsupporting
confidence: 64%
“…Poborchii and Kolobov [21,22] confirmed availability of Se-Se stretching mode in zeolite matrix, containing chalcogenide at vibrational bands way over the 250 cm À1 at 259 and 268 cm À1 . Furthermore, ab initio calculations show even the possibility for Se-Se vibrations to exist at 287 cm À1 [23]. However, although wrong bonds could be present always in the disordered systems and hence appearance of Se-Se bonds in the Ge rich composition is possible and is affecting the appearance of this vibrational mode, we suggest that in the regarded glass films the 270 cm À1 vibrational band is predominantly related to tetrahedral units containing Ge and Se, since one could not expect such a strong signal, as the one we obtained, originating primarily from wrong bonds.…”
Section: Resultsmentioning
confidence: 99%