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GdBO3 and YBO3 crystals under compression

•Accurate revision of the fundamental property of the GdBO3 isothermal bulk modulus.•GdBO3 isothermal bulk modulus much lower than previously reported.•GdBO3 bulk modulus conforms with compressibility systematics of isomorphic borates.•GdBO3 isothermal compressibility tensor reveals highly anisotrop...

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Published in:Journal of alloys and compounds 2021-06, Vol.866, p.158962, Article 158962
Main Authors: Turnbull, Robin, Errandonea, Daniel, Sans, Juan Ángel, Cuenca-Gotor, Vanesa Paula, Vilaplana, Rosario Isabel, Ibáñez, Jordi, Popescu, Catalin, Szczeszak, Agata, Lis, Stefan, Manjón, Francisco Javier
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Language:English
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Summary:•Accurate revision of the fundamental property of the GdBO3 isothermal bulk modulus.•GdBO3 isothermal bulk modulus much lower than previously reported.•GdBO3 bulk modulus conforms with compressibility systematics of isomorphic borates.•GdBO3 isothermal compressibility tensor reveals highly anisotropic compressibility. High-pressure X-ray diffraction studies on nanocrystals of the GdBO3 and YBO3 rare-earth orthoborates are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The subsequent determination of the room-temperature pressure-volume equations of state is presented and discussed in the context of contemporary publications which contradict the findings of this work. In particular, the isothermal bulk moduli of GdBO3 and YBO3 are found to be 170(13) and 163(13) GPa respectively, almost 50% smaller than recent findings. Our experimental results provide an accurate revision of the high-pressure compressibility behaviour of GdBO3 and YBO3 which is consistent with the known systematics in isomorphic borates and previous ab initio calculations. Finally, we discuss how experimental/analytical errors could have led to unreliable conclusions reported elsewhere.
ISSN:0925-8388
1873-4669
DOI:10.1016/j.jallcom.2021.158962