Ab initio and Raman study of medium range ordering in GeSe2 glass
High resolution Raman spectra of GeSe2 glass were measured and fitted using individual
Gaussian components. The structural origin of the components were interpreted using the …
Gaussian components. The structural origin of the components were interpreted using the …
Ring-, branchy-, and cage-like AsnSm nanoclusters in the structure of amorphous semiconductors: ab initio and Raman study
Ab initio calculations were performed on ring-, branchy-, and cage-like AsnSm nanoclusters
being the building blocks of cluster model are generally found in AsxS100-x glasses and of …
being the building blocks of cluster model are generally found in AsxS100-x glasses and of …
Local structure of technologically modified g-GeS2: resonant Raman and absorption edge spectroscopy combined with ab initio calculations
We have used resonant Raman and absorption edge spectroscopy together with first-
principle calculations in order to study the structure of GeS2 glasses (g-GeS2). The glasses …
principle calculations in order to study the structure of GeS2 glasses (g-GeS2). The glasses …
Simulation of Raman spectra of AsxS100-x glasses by the results of ab initio calculations of AsnSm clusters vibrations
We here present ab initio calculations on small AsnSm clusters that are building blocks for
the formation of continuous random networks (CRN) generally found in AsxS100-x glasses …
the formation of continuous random networks (CRN) generally found in AsxS100-x glasses …
Structural Nature of Boson Peak and Low‐Temperature Heat Excess in As2S3 Glass
Comparative analysis of experimentally measured Raman spectra of crystalline (c), glassy
(g), and powdered c‐As2S3 samples is performed based on vibrational modes of As6S6+ …
(g), and powdered c‐As2S3 samples is performed based on vibrational modes of As6S6+ …
Boson peak in low‐frequency Raman spectra of AsxS100‐x glasses: nanocluster contribution
The origin of the Boson peak was investigated using Raman spectroscopy and ab initio
calculations. Low frequency Raman active vibrational modes of different branchy‐, ring‐and …
calculations. Low frequency Raman active vibrational modes of different branchy‐, ring‐and …
Super-bandgap light stimulated reversible transformation and laser-driven mass transport at the surface of As2S3 chalcogenide nanolayers studied in situ
The super-bandgap laser irradiation of the in situ prepared As-S chalcogenide films was
found to cause drastic structural transformations and unexpected selective diffusion …
found to cause drastic structural transformations and unexpected selective diffusion …
Modeling and first-principles calculation of low-frequency quasi-localized vibrations of soft and rigid As–S nanoclusters
Experimental and theoretical studies were performed on Boson peak of binary As x S 100− x
glasses and As–S polycrystalline composites (mixtures of glass with polycrystallites) of …
glasses and As–S polycrystalline composites (mixtures of glass with polycrystallites) of …
Localized states model of GeS2 glasses based on electronic states of GenSm clusters calculated by using TD-DFT method
The first-principles calculation based on time dependent–density functional theory (TDDFT)
reveals the origin of the molecular electronic structure and its connection to the localized …
reveals the origin of the molecular electronic structure and its connection to the localized …
Deuteron irradiation induced changes in amorphous AsSe films
I Ivan, S Szegedi, L Daroczi, IA Szabo… - Nuclear Instruments and …, 2005 - Elsevier
Optical parameters of amorphous AsSe layers have been found to be sensitive to relatively
low energy (40–180keV) deuteron irradiation. The changes of the optical absorption edge …
low energy (40–180keV) deuteron irradiation. The changes of the optical absorption edge …