Univerzita PardubiceFakulta chemicko- technologická

Univerzita Pardubice

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Publikace detail

Study of GaGeTe7 amorphous structure by Raman spectroscopy

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

Rok: 2012

Druh publikace: ostatní do riv

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
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