Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Smith, Anna; Rutten, Maikel; Herrmann, L.; Epifano, E.; Konings, R.J.M.; Colineau, E.; Griveau, Jean‐Christophe; Guéneau, C.; Dupin, N.

doi:10.1016/j.jeurceramsoc.2021.01.010

Journal of the European Ceramic Society

2021

DOI: 10.1016/j.jeurceramsoc.2021.01.010

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Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Anna Smith

Maikel Rutten

L. Herrmann

et al.

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Cited by 13 publications

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“…2) (Table S1) and P 2 1 , respectively. Among them, the former is a new phase of BaMo 3 O 10 and the latter is a known structure . The molecular formulas of the two phases were determined to be BaMo 3 O 10 , suggesting the existence of two different polymorphs with similar compositions but totally different symmetries.…”

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confidence: 98%

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties

Long

et al. 2023

Inorg. Chem.

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Polymorphism is a well-known but important phenomenon in the field of solid-state chemistry. Crystalline materials can form various polymorphs and present drastically varied physical and chemical properties. Herein, systematic exploration of the BaO-MoO 3 binary system leads to the discovery of a new barium molybdate, α-BaMo 3 O 10 . The temperature-dependent phase transition from α-BaMo 3 O 10 to β-BaMo 3 O 10 is confirmed. The tunable linear and nonlinear optical properties induced by the phase transition are confirmed by both experimental and theoretical approaches. Also, β-BaMo 3 O 10 is identified as a nonlinear-optical crystal for the first time. The origin of linear-and nonlinear-optical properties of BaMo 3 O 10 polymorphs is confirmed by the additional theoretical means. This work indicates that a small change in the structure can induce tunable symmetries and thereby widely divergent optical properties.

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confidence: 98%

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties

Long

et al. 2023

Inorg. Chem.

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Synthesis, characterization, and stability assessment of sodium and barium heptamolybdates

Lara-Contreras,

Affan,

Schatte

et al. 2024

Applied Radiation and Isotopes

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Thermodynamic modelling assessment of the ternary system Cs-Mo-O

Smith¹,

Thi²,

Guéneau³

et al. 2021

Calphad

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Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Cited by 13 publications

References 87 publications

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties

Synthesis, characterization, and stability assessment of sodium and barium heptamolybdates

Thermodynamic modelling assessment of the ternary system Cs-Mo-O

Contact Info

Product

Resources

About

Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Cited by 13 publications

References 87 publications

BaMo3O10 Polymorphs with Tunable Symmetries and Properties

BaMo3O10 Polymorphs with Tunable Symmetries and Properties

Synthesis, characterization, and stability assessment of sodium and barium heptamolybdates

Thermodynamic modelling assessment of the ternary system Cs-Mo-O

Contact Info

Product

Resources

About

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties

BaMo₃O₁₀ Polymorphs with Tunable Symmetries and Properties