Understanding the Unusual Response to High Pressure in KBe2BO3F2

Abstract Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe2BO3F2 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 observ...

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Autores principales:	D. H. Yu, M. Avdeev, D. H. Sun, L. Q. Huston, Thomas B. Shiell, Q. B. Sun, T. Lu, Q. Gu, H. Liu, J. E. Bradby, N. Yie, Y. Liu, J. Y. Wang, G. J. McIntyre
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/5f2c9209a6834da0a444256383b50105
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spelling	oai:doaj.org-article:5f2c9209a6834da0a444256383b501052021-12-02T16:06:43ZUnderstanding the Unusual Response to High Pressure in KBe2BO3F210.1038/s41598-017-04323-22045-2322https://doaj.org/article/5f2c9209a6834da0a444256383b501052017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-04323-2https://doaj.org/toc/2045-2322Abstract Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe2BO3F2 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 KBe2BO3F2 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.D. H. YuM. AvdeevD. H. SunL. Q. HustonThomas B. ShiellQ. B. SunT. LuQ. GuH. LiuJ. E. BradbyN. YieY. LiuJ. Y. WangG. J. McIntyreNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q D. H. Yu M. Avdeev D. H. Sun L. Q. Huston Thomas B. Shiell Q. B. Sun T. Lu Q. Gu H. Liu J. E. Bradby N. Yie Y. Liu J. Y. Wang G. J. McIntyre Understanding the Unusual Response to High Pressure in KBe2BO3F2
description	Abstract Strong anisotropic compression with pressure on the remarkable non-linear optical material KBe2BO3F2 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 KBe2BO3F2 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.
format	article
author	D. H. Yu M. Avdeev D. H. Sun L. Q. Huston Thomas B. Shiell Q. B. Sun T. Lu Q. Gu H. Liu J. E. Bradby N. Yie Y. Liu J. Y. Wang G. J. McIntyre
author_facet	D. H. Yu M. Avdeev D. H. Sun L. Q. Huston Thomas B. Shiell Q. B. Sun T. Lu Q. Gu H. Liu J. E. Bradby N. Yie Y. Liu J. Y. Wang G. J. McIntyre
author_sort	D. H. Yu
title	Understanding the Unusual Response to High Pressure in KBe2BO3F2
title_short	Understanding the Unusual Response to High Pressure in KBe2BO3F2
title_full	Understanding the Unusual Response to High Pressure in KBe2BO3F2
title_fullStr	Understanding the Unusual Response to High Pressure in KBe2BO3F2
title_full_unstemmed	Understanding the Unusual Response to High Pressure in KBe2BO3F2
title_sort	understanding the unusual response to high pressure in kbe2bo3f2
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/5f2c9209a6834da0a444256383b50105
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Understanding the Unusual Response to High Pressure in KBe2BO3F2

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