Local- and Intermediate-Range Atomic Order in Ga2Ge3Se9 Glass: Complementary Use of X-Rays and Neutrons

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F21%3A39918265" target="_blank" >RIV/00216275:25310/21:39918265 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.7566/JPSCP.33.011069" target="_blank" >http://dx.doi.org/10.7566/JPSCP.33.011069</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.7566/JPSCP.33.011069" target="_blank" >10.7566/JPSCP.33.011069</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Local- and Intermediate-Range Atomic Order in Ga2Ge3Se9 Glass: Complementary Use of X-Rays and Neutrons

Popis výsledku v původním jazyce

Local- and intermediate-range atomic order in a (Ga2Se3)0.25(GeSe2)0.75, or Ga2Ge3Se9 glass, having a high infrared transparence coefficient, was investigated by using a combination of anomalous X-ray scattering (AXS), X-ray and neutron diffraction (XRD and ND), and reverse Monte Carlo (RMC) modeling. By adding the ND pair distribution function to AXS and XRD results, reasonable partial structure factors and partial pair distribution functions were obtained, even applying no constraints of shortest interatomic distances during the RMC calculation procedure. Total coordination numbers around Ga, Ge, and Se atoms are 3.80, 4.68, and 2.25, respectively, which contradict the 8 − N rule. The numbers of Ga-Ga, Ga-Ge, Ge-Ga, and Ge-Ge wrong bonds were found to be 0.71, 1.32, 0.76, and 1.12, respectively. In the three-dimensional atomic configuration, the structure looks inhomogeneous in both density and concentration.

Název v anglickém jazyce

Local- and Intermediate-Range Atomic Order in Ga2Ge3Se9 Glass: Complementary Use of X-Rays and Neutrons

Popis výsledku anglicky

Local- and intermediate-range atomic order in a (Ga2Se3)0.25(GeSe2)0.75, or Ga2Ge3Se9 glass, having a high infrared transparence coefficient, was investigated by using a combination of anomalous X-ray scattering (AXS), X-ray and neutron diffraction (XRD and ND), and reverse Monte Carlo (RMC) modeling. By adding the ND pair distribution function to AXS and XRD results, reasonable partial structure factors and partial pair distribution functions were obtained, even applying no constraints of shortest interatomic distances during the RMC calculation procedure. Total coordination numbers around Ga, Ge, and Se atoms are 3.80, 4.68, and 2.25, respectively, which contradict the 8 − N rule. The numbers of Ga-Ga, Ga-Ge, Ge-Ga, and Ge-Ge wrong bonds were found to be 0.71, 1.32, 0.76, and 1.12, respectively. In the three-dimensional atomic configuration, the structure looks inhomogeneous in both density and concentration.

Druh

D - Stať ve sborníku

CEP obor

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OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/LM2015082" target="_blank" >LM2015082: Centrum materiálů a nanotechnologií</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název statě ve sborníku

Proceedings of the 3rd J-PARC Symposium (J-PARC2019)

ISBN

978-4-89027-146-7

ISSN

2435-3892

e-ISSN

—

Počet stran výsledku

6

Strana od-do

1-6

Název nakladatele

Physical Society of Japan

Místo vydání

Tsukuba

Místo konání akce

Tsukuba

Datum konání akce

23. 8. 2019

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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