Quantitative prediction of the structure and properties of Li 2 O–Ta 2 O 5 –SiO 2 glasses via phase diagram approach

Linling Tan, John Mauro, Jie Peng, Xinlei Yang, Mingying Peng

Research output: Contribution to journalArticle

Abstract

Tantalum silicate glasses serve as laser host materials to take advantage of their high refractive index and the ability to tailor their physical properties in the design of high-performance photonic and photoelectric components. However, successful attainment of feature control in tantalum-doped materials remains a longstanding problem due to the limited understanding of local structure around the tantalum ions, a problem that lies at the heart of predicting the micro- and macroscopic properties of these glasses. Herein, we present a novel approach for predicting the local structural environments in tantalum silicate glass based on a phase diagram approach. The phase relations and glass formation region of Li 2 O–Ta 2 O 5 –SiO 2 ternary systems are explored to calculate the structure and additive physical properties of lithium tantalum silicate glasses. These measured and calculated results are in good quantitative agreement, indicating that the phase diagram approach can be applied broadly to Li 2 O–Ta 2 O 5 –SiO 2 ternary glass systems. Using the phase diagram approach, the local structure of tantalum can be directly obtained. Each Ta atom is surrounded by six atoms, and its polyhedron, the TaO 6 octahedron, bonds through oxygen to Li and Ta. As a network modifier, Ta 5+ depolymerizes the silicate glass structure by modulating the local structure of lithium atoms in Li 2 O–Ta 2 O 5 –SiO 2 ternary glass system. The compositional dependence of structure in lithium tantalum silicate glasses is quantitatively determined based on the structure of the nearest neighbor congruent compound through the lever rule. These findings offer a precise prediction of tantalum silicate glass properties with quantitative control over local structural environment of the disordered materials.

Original languageEnglish (US)
Pages (from-to)185-194
Number of pages10
JournalJournal of the American Ceramic Society
Volume102
Issue number1
DOIs
StatePublished - Jan 1 2019

Fingerprint

Tantalum
Phase diagrams
Silicates
Glass
Lithium
Atoms
Physical properties
Ternary systems
Photonics
Refractive index
Ions
Oxygen
Lasers

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

Cite this

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title = "Quantitative prediction of the structure and properties of Li 2 O–Ta 2 O 5 –SiO 2 glasses via phase diagram approach",
abstract = "Tantalum silicate glasses serve as laser host materials to take advantage of their high refractive index and the ability to tailor their physical properties in the design of high-performance photonic and photoelectric components. However, successful attainment of feature control in tantalum-doped materials remains a longstanding problem due to the limited understanding of local structure around the tantalum ions, a problem that lies at the heart of predicting the micro- and macroscopic properties of these glasses. Herein, we present a novel approach for predicting the local structural environments in tantalum silicate glass based on a phase diagram approach. The phase relations and glass formation region of Li 2 O–Ta 2 O 5 –SiO 2 ternary systems are explored to calculate the structure and additive physical properties of lithium tantalum silicate glasses. These measured and calculated results are in good quantitative agreement, indicating that the phase diagram approach can be applied broadly to Li 2 O–Ta 2 O 5 –SiO 2 ternary glass systems. Using the phase diagram approach, the local structure of tantalum can be directly obtained. Each Ta atom is surrounded by six atoms, and its polyhedron, the TaO 6 octahedron, bonds through oxygen to Li and Ta. As a network modifier, Ta 5+ depolymerizes the silicate glass structure by modulating the local structure of lithium atoms in Li 2 O–Ta 2 O 5 –SiO 2 ternary glass system. The compositional dependence of structure in lithium tantalum silicate glasses is quantitatively determined based on the structure of the nearest neighbor congruent compound through the lever rule. These findings offer a precise prediction of tantalum silicate glass properties with quantitative control over local structural environment of the disordered materials.",
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Quantitative prediction of the structure and properties of Li 2 O–Ta 2 O 5 –SiO 2 glasses via phase diagram approach . / Tan, Linling; Mauro, John; Peng, Jie; Yang, Xinlei; Peng, Mingying.

In: Journal of the American Ceramic Society, Vol. 102, No. 1, 01.01.2019, p. 185-194.

Research output: Contribution to journalArticle

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AU - Tan, Linling

AU - Mauro, John

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AU - Yang, Xinlei

AU - Peng, Mingying

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AB - Tantalum silicate glasses serve as laser host materials to take advantage of their high refractive index and the ability to tailor their physical properties in the design of high-performance photonic and photoelectric components. However, successful attainment of feature control in tantalum-doped materials remains a longstanding problem due to the limited understanding of local structure around the tantalum ions, a problem that lies at the heart of predicting the micro- and macroscopic properties of these glasses. Herein, we present a novel approach for predicting the local structural environments in tantalum silicate glass based on a phase diagram approach. The phase relations and glass formation region of Li 2 O–Ta 2 O 5 –SiO 2 ternary systems are explored to calculate the structure and additive physical properties of lithium tantalum silicate glasses. These measured and calculated results are in good quantitative agreement, indicating that the phase diagram approach can be applied broadly to Li 2 O–Ta 2 O 5 –SiO 2 ternary glass systems. Using the phase diagram approach, the local structure of tantalum can be directly obtained. Each Ta atom is surrounded by six atoms, and its polyhedron, the TaO 6 octahedron, bonds through oxygen to Li and Ta. As a network modifier, Ta 5+ depolymerizes the silicate glass structure by modulating the local structure of lithium atoms in Li 2 O–Ta 2 O 5 –SiO 2 ternary glass system. The compositional dependence of structure in lithium tantalum silicate glasses is quantitatively determined based on the structure of the nearest neighbor congruent compound through the lever rule. These findings offer a precise prediction of tantalum silicate glass properties with quantitative control over local structural environment of the disordered materials.

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