Comparative characteristics of various solvents of the Na, Ba, B//O, F system for the growth of β-BaB2O4 crystals and PT-diagram of BaB2O4 polymorphs

Tatyana B. Bekker; Alexey V. Davydov; Nursultan E. Sagatov

doi:10.1016/j.jcrysgro.2022.126895

Comparative characteristics of various solvents of the Na, Ba, B//O, F system for the growth of β-BaB₂O₄ crystals and PT-diagram of BaB₂O₄ polymorphs

Tatyana B. Bekker, Alexey V. Davydov, Nursultan E. Sagatov

Research output: Contribution to journal › Article › peer-review

Abstract

Nonlinear optical β-BaB₂O₄ (BBO) crystals have been grown in six different systems belonging to the Na, Ba, B//O, F quaternary reciprocal system: I BaB₂O₄–BaF₂, II BaB₂O₄–(NaF)₂, III BaB₂O₄–Ba₂Na₃[B₃O₆]₂F, IV BaB₂O₄–NaBO₂, V BaB₂O₄–NaBaBO3, and VI BaB₂O₄–NaBaBO₃–Ba₂Na₃[B₃O₆]₂F. Comparative characteristics of the systems and grown crystals are given. The best results in terms of crystal quality have been achieved in systems V and VI. The observed occurrence of scattering centers in β-BaB₂O₄ crystals might be associated with the sodium concentration in the initial high-temperature solution, and, as a consequence, with the sodium concentration in the β-BaB₂O₄ crystal. The PT-diagram and electronic properties of BaB₂O₄ polymorphs were studied using the first-principles calculations.

Original language	English
Article number	126895
Journal	Journal of Crystal Growth
Volume	599
DOIs	https://doi.org/10.1016/j.jcrysgro.2022.126895
Publication status	Published - 1 Dec 2022

Keywords

A1. Phase diagrams
A2. Growth from high-temperature solutions
A2. Single crystal growth
A2. Top seeded solution growth
B1. Borates
B2. Nonlinear optic materials

OECD FOS+WOS

2.05 MATERIALS ENGINEERING
1.03 PHYSICAL SCIENCES AND ASTRONOMY
1.04 CHEMICAL SCIENCES

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10.1016/j.jcrysgro.2022.126895

Cite this

@article{9aeda3683c71414ebec4714220b9a186,

title = "Comparative characteristics of various solvents of the Na, Ba, B//O, F system for the growth of β-BaB2O4 crystals and PT-diagram of BaB2O4 polymorphs",

abstract = "Nonlinear optical β-BaB2O4 (BBO) crystals have been grown in six different systems belonging to the Na, Ba, B//O, F quaternary reciprocal system: I BaB2O4–BaF2, II BaB2O4–(NaF)2, III BaB2O4–Ba2Na3[B3O6]2F, IV BaB2O4–NaBO2, V BaB2O4–NaBaBO3, and VI BaB2O4–NaBaBO3–Ba2Na3[B3O6]2F. Comparative characteristics of the systems and grown crystals are given. The best results in terms of crystal quality have been achieved in systems V and VI. The observed occurrence of scattering centers in β-BaB2O4 crystals might be associated with the sodium concentration in the initial high-temperature solution, and, as a consequence, with the sodium concentration in the β-BaB2O4 crystal. The PT-diagram and electronic properties of BaB2O4 polymorphs were studied using the first-principles calculations.",

keywords = "A1. Phase diagrams, A2. Growth from high-temperature solutions, A2. Single crystal growth, A2. Top seeded solution growth, B1. Borates, B2. Nonlinear optic materials",

author = "Bekker, {Tatyana B.} and Davydov, {Alexey V.} and Sagatov, {Nursultan E.}",

note = "Funding Information: This work was supported by the Russian Science Foundation , grant № 21-19-00097. Publisher Copyright: {\textcopyright} 2022",

year = "2022",

month = dec,

day = "1",

doi = "10.1016/j.jcrysgro.2022.126895",

language = "English",

volume = "599",

journal = "Journal of Crystal Growth",

issn = "0022-0248",

publisher = "Elsevier",

}

TY - JOUR

T1 - Comparative characteristics of various solvents of the Na, Ba, B//O, F system for the growth of β-BaB2O4 crystals and PT-diagram of BaB2O4 polymorphs

AU - Bekker, Tatyana B.

AU - Davydov, Alexey V.

AU - Sagatov, Nursultan E.

PY - 2022/12/1

Y1 - 2022/12/1

N2 - Nonlinear optical β-BaB2O4 (BBO) crystals have been grown in six different systems belonging to the Na, Ba, B//O, F quaternary reciprocal system: I BaB2O4–BaF2, II BaB2O4–(NaF)2, III BaB2O4–Ba2Na3[B3O6]2F, IV BaB2O4–NaBO2, V BaB2O4–NaBaBO3, and VI BaB2O4–NaBaBO3–Ba2Na3[B3O6]2F. Comparative characteristics of the systems and grown crystals are given. The best results in terms of crystal quality have been achieved in systems V and VI. The observed occurrence of scattering centers in β-BaB2O4 crystals might be associated with the sodium concentration in the initial high-temperature solution, and, as a consequence, with the sodium concentration in the β-BaB2O4 crystal. The PT-diagram and electronic properties of BaB2O4 polymorphs were studied using the first-principles calculations.

AB - Nonlinear optical β-BaB2O4 (BBO) crystals have been grown in six different systems belonging to the Na, Ba, B//O, F quaternary reciprocal system: I BaB2O4–BaF2, II BaB2O4–(NaF)2, III BaB2O4–Ba2Na3[B3O6]2F, IV BaB2O4–NaBO2, V BaB2O4–NaBaBO3, and VI BaB2O4–NaBaBO3–Ba2Na3[B3O6]2F. Comparative characteristics of the systems and grown crystals are given. The best results in terms of crystal quality have been achieved in systems V and VI. The observed occurrence of scattering centers in β-BaB2O4 crystals might be associated with the sodium concentration in the initial high-temperature solution, and, as a consequence, with the sodium concentration in the β-BaB2O4 crystal. The PT-diagram and electronic properties of BaB2O4 polymorphs were studied using the first-principles calculations.

KW - A1. Phase diagrams

KW - A2. Growth from high-temperature solutions

KW - A2. Single crystal growth

KW - A2. Top seeded solution growth

KW - B1. Borates

KW - B2. Nonlinear optic materials

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DO - 10.1016/j.jcrysgro.2022.126895

M3 - Article

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