Structure of lead tellurite glasses and its relationship with stress-optic properties

Kaur, Amarjot; Hirdesh,; Khanna, Atul; Fábián, Margit; Krishna, P. S. R.; Shinde, A. B.

doi:10.1016/j.materresbull.2018.10.008

Cited by 18 publications

(16 citation statements)

References 57 publications

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“…2013; Hoppe et al, 2004;Kaur et al, 2019). The mean Te-O coordination numbers for 5ST, 7.5ST, 8.5ST and 10ST glasses are 3.93 (1), 3.84 (1), 3.82 (2) and 3.59 (1), respectively.…”

Section: Figure 14mentioning

confidence: 97%

“…RMC++ is a 3D structural modelling program used for the disordered (amorphous) structures which involves random movements of atoms placed in a simulation box with periodic boundary conditions (Kaur et al, 2019;Khanna et al, 2018;Evrard & Pusztai, 2005;Fabian et al, 2016;Fá biá n & Araczki, 2016). The RMC technique reduces the squared difference between the experimentally measured structure factor, S exp (Q) and the calculated one, by repeatedly sampling the configuration space (McLaughlin & Zwanziger, 1999).…”

Section: Reverse Monte Carlo (Rmc) Simulationsmentioning

confidence: 99%

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Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Kaur

Khanna

Hirdesh

et al. 2020

Acta Crystallogr Sect B

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The structures of xSrO-(100 À x)TeO 2 (x = 5, 7.5, 8.5 and 10 mol.%) glass, antiglass and crystalline samples were studied by high-energy X-ray diffraction (HEXRD), reverse Monte Carlo (RMC) simulations, atomic pair distribution function analysis and Fullprof Rietveld refinement. The atomic pair distributions show the first peak at 1.90 Å due to the Te-O equatorial bonds and the Te-O peak is asymmetrical due to the range of Te-O bond lengths in glass, anti-glass and crystalline samples. The short-range structural properties of glasses such as Te-O bond lengths, Te-O speciation, Te-Te distances and O-Te-O bond angle distributions were determined by RMC simulations. The average Te-O coordination number (N Te-O ) for 5SrO-95TeO 2 glass is 3.93 which decreases to 3.59 on increasing the SrO concentration to 10 mol.%. The changes in N Te-O revealed that the glass network predominantly contains TeO 4 units with a small amount of TeO 3 units and there is a structural transformation TeO 4 ! TeO 3 with an increase in SrO concentration. The O-Te-O bond angle distributions have a peak at 79 and reveal that the O equatorial -Te-O equatorial bonds are the most abundant linkages in the tellurite network.Two glass samples containing 7.5 and 8.5 mol.% of SrO were annealed at 350 C for 1 h to produce anti-glass phases; they were further annealed at 450 C for 4 h to transform them into crystalline phases. The anti-glass samples are disordered cubic SrTe 5 O 11 and the disordered monoclinic SrTeO 3 phases, whereas the crystalline samples contain monoclinic SrTeO 3 and the orthorhombic TeO 2 phases. The unit-cell parameters of the anti-glass and crystalline structures were determined by Fullprof Rietveld refinement. Thermal studies found that the glass transition temperature increases with an increase in SrO mol.% and the results on the short-range structure of glasses from Raman spectroscopy are in agreement with the RMC findings.

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“…2013; Hoppe et al, 2004;Kaur et al, 2019). The mean Te-O coordination numbers for 5ST, 7.5ST, 8.5ST and 10ST glasses are 3.93 (1), 3.84 (1), 3.82 (2) and 3.59 (1), respectively.…”

Section: Figure 14mentioning

confidence: 97%

Section: Reverse Monte Carlo (Rmc) Simulationsmentioning

confidence: 99%

Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Kaur

Khanna

Hirdesh

et al. 2020

Acta Crystallogr Sect B

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“…The X-ray and neutron scattering weight factors for the atomic pairs were calculated by the following equations (Fá bían et al, 2007;Kaur et al, 2019Kaur et al, , 2020:…”

Section: Fourier Transformation and Reverse Monte Carlo Simulationsmentioning

confidence: 99%

Structure of lithium tellurite and vanadium lithium tellurite glasses by high-energy X-ray and neutron diffraction

Hirdesh

Khanna

Fábián

et al. 2021

Acta Crystallogr B Struct Sci Cryst Eng Mater

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xLi2O–(100 − x)TeO2 (x = 20 and 25 mol%) and xV2O5–(25 − x)Li2O–75TeO2 (x = 1, 2, 3, 4 and 5 mol%) glasses were prepared by melt-quenching and their thermal and structural properties were characterized by differential scanning calorimetry, Raman spectroscopy, high-energy X-ray diffraction and neutron diffraction and reverse Monte Carlo (RMC) simulations. The glass transition temperature increases steadily with an increase in V2O5 mol% in lithium tellurite glasses due to an increase in the average single bond energy of the glass network. The X-ray and neutron diffraction structure factors were modelled by RMC technique and the Te–O distributions show the first peak in the range 1.85–1.90 Å, with V–O = 1.75–1.95 Å, Li–O = 1.85–2.15 Å and O–O = 2.70–2.80 Å. The average Te–O coordination number decreases with an increase in Li2O mol% in lithium tellurite glasses, and the V—O coordination decreases from 5.12 to 3.81 with an increase in V2O5 concentration in vanadium lithium tellurite glasses. The O–Te–O, O–V–O, O–Li–O and O–O–O linkages have maxima in the ranges 86°–89°, 82°–87°, 80°–85° and at 59o, respectively. The structural analysis of tellurite glasses reveal significant short-range and medium-range disorder due to the existence of a wide range of Te–O and Te–Te distances in the first coordination shell.

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“…The neutron scattering weight factors, w ij of the six atomic pairs (Table 1) in the glass structure were calculated as: 34,35,54…”

Section: Reverse Monto Carlo (Rmc) Modellingmentioning

confidence: 99%

“…30 It is well known from the ambient pressure X-ray diffraction, neutron diffraction and Raman spectroscopy studies that the average Te-O coordination number in the tellurite network decreases steadily upon adding network modier oxides due to the structural transformation: TeO 4 / TeO 3 + NBO. [34][35][36][37][38][39] Neutron and X-ray diffraction, infrared and Raman spectroscopy are excellent techniques for investigating in situ changes in the glass shortrange structure under extreme conditions of high pressures and high temperatures. 13,[40][41][42] The binary xBaO-(100 À x)TeO 2 glasses are of interest due to their positive, negative and zero-stress optical coefficients.…”

Section: Introductionmentioning

confidence: 99%

In situhigh pressure neutron diffraction and Raman spectroscopy of 20BaO–80TeO₂glass

et al. 2020

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Structure of lead tellurite glasses and its relationship with stress-optic properties

Cited by 18 publications

References 57 publications

Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Structure of lithium tellurite and vanadium lithium tellurite glasses by high-energy X-ray and neutron diffraction

In situhigh pressure neutron diffraction and Raman spectroscopy of 20BaO–80TeO₂glass

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Structure of lead tellurite glasses and its relationship with stress-optic properties

Cited by 18 publications

References 57 publications

Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Structure of strontium tellurite glass, anti-glass and crystalline phases by high-energy X-ray diffraction, reverse Monte Carlo and Rietveld analysis

Structure of lithium tellurite and vanadium lithium tellurite glasses by high-energy X-ray and neutron diffraction

In situhigh pressure neutron diffraction and Raman spectroscopy of 20BaO–80TeO2glass

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In situhigh pressure neutron diffraction and Raman spectroscopy of 20BaO–80TeO₂glass