Structural and electrical characterization of semiconducting xCuO-(100-x)TeO2 glasses

Kaur, Navjot; Khanna, Atul; Fábián, Margit; Dutt, Shankar

doi:10.1016/j.jnoncrysol.2020.119884

Cited by 11 publications

(8 citation statements)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Fig. 7 shows the dependences of P n OP as a percentage of the total number of P atoms; for example, P 2 OP = 30% means that 30% of phosphorous atoms have exactly two bonds P-O-P starting from them. All R n OR values are aver-aged over five final configurations.…”

Section: Simulation Resultsmentioning

confidence: 99%

“…3+ means V 3+δ , not V 3+2δ as in Eqs. (1,2). At these stages, covalent bonds were taken in the form of harmonic potentials with the spring constant of 10- 30 eVÅ -2 and the corresponding equilibrium distance.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…Oxide semiconducting glasses possess electron conductivity due to the electron transfer between ions of transition metals (V 4+ /V 5+ , Fe 2+ /Fe 3+ , Pb 2+ /Pb 4+ , etc.) [1][2][3]. Such glasses attract scientific attention because of the combination of electron conductivity and features of the vitreous state: glasses can be given any shape, and their composition can be varied in a wide range of concentrations, achieving the required properties.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

2021

View full text Add to dashboard Cite

Quasi-binary phosphate-vanadate glasses have been studied by both IR spectroscopy and a novel method of molecular dynamics with a non-constant force field. This method is used for the self-assembly of structural models of glasses. The obtained models and the glass network structure are analyzed quantitatively using element distribution by the number of R–O–R bonds (R is phosphorous or vanadium) and 4-, 6-, and 8-membered cycles. The bends on the concentration dependences of atoms distribution in the second coordination sphere agree well with changing the shape of IR spectra. Based on the cycle analysis, the formation of cycles is shown to be more characteristic for vanadate fragments that can form 4-membered cycles, which, according to Zachariasen’s rule, negatively affects glass-forming ability.

show abstract

Section: Simulation Resultsmentioning

confidence: 99%

Section: Simulation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

2021

View full text Add to dashboard Cite

show abstract

“…Tellurite glasses containing transition metal oxides such as CuO, Fe 2 O 3 and V 2 O 5 are semiconductor materials (Satou & Sakata, 2000;Kaur et al, 2020a;Das et al, 2017;Fang et al, 2022;Hosseini & Souri, 2022;Wo ´jcik et al, 2022). Pure TeO 2 is a conditional glass former and it forms glass only at a high melt-quenching rate of 10 5 K s À1 (Barney et al, 2013;Gulenko et al, 2014) or by using an intermittent cooling technique (Tagiara et al, 2017).…”

Section: Introductionmentioning

confidence: 99%

Comparative study of the short-range structure of α-V₂O₅, α-TeO₂ and xV₂O₅–(100 − x)TeO₂ glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations

Kaur

Khanna

Kaur

et al. 2023

Acta Crystallogr Sect B

Self Cite

View full text Add to dashboard Cite

Vanadium–tellurite glasses, tetragonal TeO2 and orthorhombic V2O5 crystalline samples were characterized for their atomic structure properties by synchrotron X-ray diffraction, pair distribution function analysis, reverse Monte Carlo simulations (RMC) and Rietveld analysis. The pair correlation function, G(r), of V2O5 shows the first peak at 1.61 Å. G(r) of TeO2 shows three peaks at 1.57, 2.13 and 2.88 Å due to Te–O linkages of three different lengths, whereas the Te–Te atomic pair correlation shows a peak at 3.85 Å. The average coordination number of V with O in crystalline V2O5 is 4.39 while that of Te with O in crystalline TeO2 is 3.71. G(r) of the vanadium tellurite glass shows the first peak at 1.90 Å due to overlapping Te–O and V–O atomic pair correlations. The RMC analysis on diffraction data of glasses found that the V–O coordination number is in the range 5.27–5.59 and the Te–O coordination number is 5.39–5.67. However, it is found that these coordination numbers cannot be clearly defined due to short-range disorder.

show abstract

“…Tellurite glasses based on TeO 2 as a network forming material, are technologically important materials and nd applications in optical bres, photoluminescence, lasers and non-linear optical devices due to their high linear and nonlinear refractive indices, [23][24][25][26][27][28] photosensitivity and high transparency in the infrared region. 26,29,30 It is known from neutron diffraction and high energy X-ray diffraction studies 31,32 that the structure of TeO 2 glass consists of predominantly corner sharing TeO 4 trigonal bipyramidal (tbp) units along with small concentrations of TeO 3 trigonal pyramidal (tp) units.…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2020

Self Cite

View full text Add to dashboard Cite

show abstract

Structural and electrical characterization of semiconducting xCuO-(100-x)TeO2 glasses

Cited by 11 publications

References 52 publications

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

Comparative study of the short-range structure of α-V₂O₅, α-TeO₂ and xV₂O₅–(100 − x)TeO₂ glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations

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

Contact Info

Product

Resources

About

Structural and electrical characterization of semiconducting xCuO-(100-x)TeO2 glasses

Cited by 11 publications

References 52 publications

Structural changes in V2O5-P2O5 glasses: non-constant force field molecular dynamics and IR spectroscopy

Structural changes in V2O5-P2O5 glasses: non-constant force field molecular dynamics and IR spectroscopy

Comparative study of the short-range structure of α-V2O5, α-TeO2 and xV2O5–(100 − x)TeO2 glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations

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

Contact Info

Product

Resources

About

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

Structural changes in V₂O₅-P₂O₅ glasses: non-constant force field molecular dynamics and IR spectroscopy

Comparative study of the short-range structure of α-V₂O₅, α-TeO₂ and xV₂O₅–(100 − x)TeO₂ glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations

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