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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Detalles Bibliográficos
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
Descripción
Sumario: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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