Publication detail

Study of GaGeTe7 amorphous structure by Raman spectroscopy

Authors: Voleská Iva | Akola Jaakko | Yannopoulos Spyros N. | Gutwirth Jan | Wágner Tomáš

Year: 2012

Type of publication: ostatní do riv

Page from-to: nestránkováno

Titles:

Language	Name	Abstract	Keywords
cze	Study of GaGeTe7 amorphous structure by Raman spectroscopy	Glassy GaGeTe7 was prepared by standard way. Raman spectra were measured by Raman spectrophotometer. The calculations were based on models containing 540 or 216 atoms located in periodic unit cells. Malé clusterové modely byly sestaveny z podjednotek vyskytujících se v periodickém modelu. These models were calculated on periodic DFT level and well described the structure of material. Smaller cluster models were simulated by DFT (Density Functional Theory) with PBE - PBE (Perdew-Burke-Ernzerhof) functional and DGDZVP basis set.	chalkogenidové sklo; DFT; Ramanova spektroskopie
eng	Study of GaGeTe7 amorphous structure by Raman spectroscopy	Glassy GaGeTe7 was prepared by standard way. Raman spectra were measured by Raman spectrophotometer. The calculations were based on models containing 540 or 216 atoms located in periodic unit cells. Malé clusterové modely byly sestaveny z podjednotek vyskytujících se v periodickém modelu. These models were calculated on periodic DFT level and well described the structure of material. Smaller cluster models were simulated by DFT (Density Functional Theory) with PBE - PBE (Perdew-Burke-Ernzerhof) functional and DGDZVP basis set.	chalcogenide glass; ab-initio calculations; DFT; Raman spectroscopy

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