Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39915280" target="_blank" >RIV/00216275:25310/19:39915280 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0925838818335928" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0925838818335928</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jallcom.2018.09.334" target="_blank" >10.1016/j.jallcom.2018.09.334</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds

Popis výsledku v původním jazyce

The structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3-0.4 angstrom longer bond distance than the usually accepted covalent bond length (similar to 2.45 angstrom). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.

Název v anglickém jazyce

Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds

Popis výsledku anglicky

The structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3-0.4 angstrom longer bond distance than the usually accepted covalent bond length (similar to 2.45 angstrom). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA16-17921S" target="_blank" >GA16-17921S: Heterostruktury založené na chalkogenidech pro nelineární optiku a optické senzory</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Alloys and Compounds

ISSN

0925-8388

e-ISSN

—

Svazek periodika

774

Číslo periodika v rámci svazku

February

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

8

Strana od-do

1009-1016

Kód UT WoS článku

000449743600117

EID výsledku v databázi Scopus

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