Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)

Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe(2)BO(3)F(2) has been observed with the linear compression coefficient along the c axis found to be about 40 times larger than that along the a axis. An unusual non-monotonic pressure response was observed...

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Autores principales: Yu, D. H., Avdeev, M., Sun, D. H., Huston, L. Q., Shiell, Thomas B., Sun, Q. B., Lu, T., Gu, Q., Liu, H., Bradby, J. E., Yie, N., Liu, Y., Wang, J. Y., McIntyre, G. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5481392/
https://www.ncbi.nlm.nih.gov/pubmed/28642619
http://dx.doi.org/10.1038/s41598-017-04323-2
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author Yu, D. H.
Avdeev, M.
Sun, D. H.
Huston, L. Q.
Shiell, Thomas B.
Sun, Q. B.
Lu, T.
Gu, Q.
Liu, H.
Bradby, J. E.
Yie, N.
Liu, Y.
Wang, J. Y.
McIntyre, G. J.
author_facet Yu, D. H.
Avdeev, M.
Sun, D. H.
Huston, L. Q.
Shiell, Thomas B.
Sun, Q. B.
Lu, T.
Gu, Q.
Liu, H.
Bradby, J. E.
Yie, N.
Liu, Y.
Wang, J. Y.
McIntyre, G. J.
author_sort Yu, D. H.
collection PubMed
description Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe(2)BO(3)F(2) has been observed with the linear compression coefficient along the c axis found to be about 40 times larger than that along the a axis. An unusual non-monotonic pressure response was observed for the a lattice parameter. The derived bulk modulus of 31 ± 1 GPa indicates that KBe(2)BO(3)F(2) is a very soft oxide material yet with stable structure up to 45 GPa. A combination of high-pressure synchrotron powder X-ray diffraction, high-pressure Raman spectroscopy, and Density Functional Theory calculations points to the mechanism for the unusual pressure response being due to the competition between the K-F bond length and K-F-K bond angle and the coupling between the stretching and twisting vibration modes.
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spelling pubmed-54813922017-06-26 Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2) Yu, D. H. Avdeev, M. Sun, D. H. Huston, L. Q. Shiell, Thomas B. Sun, Q. B. Lu, T. Gu, Q. Liu, H. Bradby, J. E. Yie, N. Liu, Y. Wang, J. Y. McIntyre, G. J. Sci Rep Article Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe(2)BO(3)F(2) has been observed with the linear compression coefficient along the c axis found to be about 40 times larger than that along the a axis. An unusual non-monotonic pressure response was observed for the a lattice parameter. The derived bulk modulus of 31 ± 1 GPa indicates that KBe(2)BO(3)F(2) is a very soft oxide material yet with stable structure up to 45 GPa. A combination of high-pressure synchrotron powder X-ray diffraction, high-pressure Raman spectroscopy, and Density Functional Theory calculations points to the mechanism for the unusual pressure response being due to the competition between the K-F bond length and K-F-K bond angle and the coupling between the stretching and twisting vibration modes. Nature Publishing Group UK 2017-06-22 /pmc/articles/PMC5481392/ /pubmed/28642619 http://dx.doi.org/10.1038/s41598-017-04323-2 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Yu, D. H.
Avdeev, M.
Sun, D. H.
Huston, L. Q.
Shiell, Thomas B.
Sun, Q. B.
Lu, T.
Gu, Q.
Liu, H.
Bradby, J. E.
Yie, N.
Liu, Y.
Wang, J. Y.
McIntyre, G. J.
Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title_full Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title_fullStr Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title_full_unstemmed Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title_short Understanding the Unusual Response to High Pressure in KBe(2)BO(3)F(2)
title_sort understanding the unusual response to high pressure in kbe(2)bo(3)f(2)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5481392/
https://www.ncbi.nlm.nih.gov/pubmed/28642619
http://dx.doi.org/10.1038/s41598-017-04323-2
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