Next Article in Journal
Synthesis, Characterization and Catalytic Performance of Well-Ordered Crystalline Heteroatom Mesoporous MCM-41
Next Article in Special Issue
Borate-Based Ultraviolet and Deep-Ultraviolet Nonlinear Optical Crystals
Previous Article in Journal
Two Organic Cation Salts Containing Tetra(isothiocyanate)cobaltate(II): Synthesis, Crystal Structures, Spectroscopic, Optical and Magnetic Properties
Previous Article in Special Issue
Growth of High Quality Al-Doped CsLiB6O10 Crystals Using Cs2O-Li2O-MoO3 Fluxes
Article Menu
Issue 3 (March) cover image

Export Article

Open AccessReview
Crystals 2017, 7(3), 93; doi:10.3390/cryst7030093

Borates—Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations

1
Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, St. Petersburg 199034, Russia
2
Department of Crystallography, Institute of Earth Sciences, St. Petersburg State University, University Emb. 7/9, St. Petersburg 199034, Russia
3
Eduard Zintl-Institute of Inorganic and Physical Chemistry, Technische Universität Darmstadt, Alarich-Weiss-Str. 12, 64287 Darmstadt, Germany
*
Author to whom correspondence should be addressed.
Academic Editors: Ning Ye and Rukang Li
Received: 7 February 2017 / Revised: 14 March 2017 / Accepted: 16 March 2017 / Published: 22 March 2017
View Full-Text   |   Download PDF [9354 KB, uploaded 23 March 2017]   |  

Abstract

In the present study the thermal structure evolution is reviewed for known nonlinear optical borates such as β-BaB2O4, LiB3O5, CsLiB6O10, Li2B4O7, K2Al2B2O7, and α-BiB3O6, based on single-crystal and powder X-ray diffraction data collected over wide temperature ranges. Temperature-dependent measurements of further borates are presented for the first time: α-BaB2O4 (295–673 K), β-BaB2O4 (98–693 K), LiB3O5 (98–650 K) and K2Al2B2O7 (98–348 K). In addition to the established criteria for nonlinear optical (NLO) properties of crystals, here the role of the anisotropy and anharmonicity of the thermal vibrations of atoms is analysed as well as changes in their coordination spheres and the anisotropy of the thermal expansion of the crystal structure. Non-centrosymmetric borates, especially those that have NLO properties, often show distinct anisotropies for each cation in comparison to centrosymmetric borates. All considered NLO borates contain BO3 triangles, which are the principal cause of the strong anisotropy of the thermal expansion. View Full-Text
Keywords: NLO borates; crystal structures at low and high temperatures; rigid boron–oxygen groups; anisotropic and anharmonic atomic vibrations; thermal expansion; low- and high-temperature single-crystal and powder X-ray diffraction NLO borates; crystal structures at low and high temperatures; rigid boron–oxygen groups; anisotropic and anharmonic atomic vibrations; thermal expansion; low- and high-temperature single-crystal and powder X-ray diffraction
Figures

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Bubnova, R.; Volkov, S.; Albert, B.; Filatov, S. Borates—Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations. Crystals 2017, 7, 93.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Crystals EISSN 2073-4352 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top