Structural investigation of gallate glass using L3-edge extended X-ray absorption spectroscopy and computer simulation

Pinit Kidkhunthod; Atipong Bootchanont; Adrian C. Barnes

doi:10.1016/j.jnoncrysol.2016.06.034

Structural investigation of gallate glass using L3-edge extended X-ray absorption spectroscopy and computer simulation

Pinit Kidkhunthod, Atipong Bootchanont, Adrian C. Barnes

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Abstract

L3-edge Extended X-ray Absorption Fine Structure (EXAFS) studies have been carried out on a praseodymium gallate glass (Pr3Ga5O12) prepared by aerodynamic levitation and laser heating. The short range ordering around the rare-earth has been obtained by combined technique including molecular dynamics simulation (MD). The results give an average PrO coordination number of 6.68(2) and a mean GaO coordination number of 4.29(2). A good agreement between the experimental data and the simple molecular dynamics simulations give rising a glass network of a PrO polyhedral structure and a predominant GaO4 tetrahedral network in this glass.

Original language	English
Pages (from-to)	27-30
Number of pages	4
Journal	Journal of Non-Crystalline Solids
Volume	448
DOIs	https://doi.org/10.1016/j.jnoncrysol.2016.06.034
Publication status	Published - 15 Sept 2016

Keywords

Gallate glasses
X-ray absorption spectroscopy
Molecular dynamics simulation

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10.1016/j.jnoncrysol.2016.06.034

Kidkhunthod, Bootchanont and Barnes 2016
This is the accepted author manuscript (AAM). The final published version (version of record) is available online via Elsevier at http://dx.doi.org/10.1016/j.jnoncrysol.2016.06.034. Please refer to any applicable terms of use of the publisher.
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Dr Adrian C Barnes
- A.C.Barnesbristol.acuk
- The Bristol Centre for Nanoscience and Quantum Information
- School of Physics - Reader in Physics
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title = "Structural investigation of gallate glass using L3-edge extended X-ray absorption spectroscopy and computer simulation",

abstract = "L3-edge Extended X-ray Absorption Fine Structure (EXAFS) studies have been carried out on a praseodymium gallate glass (Pr3Ga5O12) prepared by aerodynamic levitation and laser heating. The short range ordering around the rare-earth has been obtained by combined technique including molecular dynamics simulation (MD). The results give an average PrO coordination number of 6.68(2) and a mean GaO coordination number of 4.29(2). A good agreement between the experimental data and the simple molecular dynamics simulations give rising a glass network of a PrO polyhedral structure and a predominant GaO4 tetrahedral network in this glass.",

keywords = "Gallate glasses, X-ray absorption spectroscopy, Molecular dynamics simulation",

author = "Pinit Kidkhunthod and Atipong Bootchanont and Barnes, {Adrian C.}",

year = "2016",

month = sep,

day = "15",

doi = "10.1016/j.jnoncrysol.2016.06.034",

language = "English",

volume = "448",

pages = "27--30",

journal = "Journal of Non-Crystalline Solids",

issn = "0022-3093",

publisher = "North-Holland Publishing Company",

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TY - JOUR

T1 - Structural investigation of gallate glass using L3-edge extended X-ray absorption spectroscopy and computer simulation

AU - Kidkhunthod, Pinit

AU - Bootchanont, Atipong

AU - Barnes, Adrian C.

PY - 2016/9/15

Y1 - 2016/9/15

N2 - L3-edge Extended X-ray Absorption Fine Structure (EXAFS) studies have been carried out on a praseodymium gallate glass (Pr3Ga5O12) prepared by aerodynamic levitation and laser heating. The short range ordering around the rare-earth has been obtained by combined technique including molecular dynamics simulation (MD). The results give an average PrO coordination number of 6.68(2) and a mean GaO coordination number of 4.29(2). A good agreement between the experimental data and the simple molecular dynamics simulations give rising a glass network of a PrO polyhedral structure and a predominant GaO4 tetrahedral network in this glass.

AB - L3-edge Extended X-ray Absorption Fine Structure (EXAFS) studies have been carried out on a praseodymium gallate glass (Pr3Ga5O12) prepared by aerodynamic levitation and laser heating. The short range ordering around the rare-earth has been obtained by combined technique including molecular dynamics simulation (MD). The results give an average PrO coordination number of 6.68(2) and a mean GaO coordination number of 4.29(2). A good agreement between the experimental data and the simple molecular dynamics simulations give rising a glass network of a PrO polyhedral structure and a predominant GaO4 tetrahedral network in this glass.

KW - Gallate glasses

KW - X-ray absorption spectroscopy

KW - Molecular dynamics simulation

U2 - 10.1016/j.jnoncrysol.2016.06.034

DO - 10.1016/j.jnoncrysol.2016.06.034

M3 - Article (Academic Journal)

SN - 0022-3093

VL - 448

SP - 27

EP - 30

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

ER -

Structural investigation of gallate glass using L3-edge extended X-ray absorption spectroscopy and computer simulation

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