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Ionic high-pressure form of elemental boron: Nature 457, 863867 (2009) (Articolo in rivista)

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Ionic high-pressure form of elemental boron: Nature 457, 863867 (2009) (Articolo in rivista) (literal)

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Oganov, A.R.; Chen, J.; Gatti, C.; Ma, Yanzhang; Ma, Yanming; Glass, C. W.; Liu, Z.; Yu, T.; Kurakevych, O. O.; Solozhenko, V. L. (2009)
Ionic high-pressure form of elemental boron: Nature 457, 863867 (2009)
in Nature (Lond.)
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Oganov, A.R.; Chen, J.; Gatti, C.; Ma, Yanzhang; Ma, Yanming; Glass, C. W.; Liu, Z.; Yu, T.; Kurakevych, O. O.; Solozhenko, V. L. (literal)

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Addendum published to Nature to a paper published by the same authors of this Addendum on Nature (Ionic high-pressure form of elemental boron: Nature 457, 863867 (2009)) (literal)

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1 Laboratory of Crystallography, Department of Materials, ETH Zurich, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland 2 Geology Department, Moscow State University, 119992 Moscow, Russia. 3 Center for the Study of Matter at Extreme Conditions and Department of Mechanical and Materials Engineering, Florida International University, Miami, Florida 33199, USA. 4 Mineral Physics Institute and Department of Geosciences, Stony Brook University, Stony Brook, New York 11794-2100, USA. 5 CNR-ISTM Istituto di Scienze e Tecnologie Molecolari, via Golgi 19, 20133 Milano, Italy. 6 Department of Mechanical Engineering, Texas University of Technology, 7th Street & Boston Avenue, Lubbock, Texas 79409, USA. 7 National Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. 8 Geophysical Laboratory, Carnegie Institution of Washington, Washington DC 20015, USA. 9 LPMTM-CNRS, Universite´ Paris Nord, Villetaneuse, F-93430, France. {Present address: Department of Geosciences and New York Center for Computational Science, Stony Brook, University, Stony Brook, New York 11794-2100, USA. (literal)

Titolo

Ionic high-pressure form of elemental boron: Nature 457, 863867 (2009) (literal)

Abstract

This Letter presents the results of high-pressure experiments and ab initio evolutionary crystal structure predictions, and found a new boron phase that we named gamma-B28. This phase is comprised of icosahedral B12 clusters and B2 pairs in a NaCl-type arrangement, stable between 19 and 89 GPa, and exhibits evidence for charge transfer (for which our best estimate is d<0.48) between the constituent clusters to give (B2)delta(+)(B12)delta(-). We have recently found that the same highpressure boron phase may have given rise to the Bragg reflections reported by Wentorf in 1965 (ref. 1), although the chemical composition was not analysed and the data (subsequently deleted from the Powder Diffraction File database) seems to not have been used to propose a structure model. We also note that although we used the terms partially ionic and ionic to emphasize the polar nature of the high-pressure boron phase and the influence this polarity has on several physical properties of the elemental phase, the chemical bonding in c-B28 is predominantly covalent. We acknowledge N. Dubrovinskaia, L. Dubrovinsky, E. Yu Zarechnaya, Y. Filinchuk, D. Chernyshov, V. Dmitriev, A. S. Mikhaylushkin, I. A. Abrikosov & S. I. Simak for drawing these issues to our attention. 1. Wentorf, R. H. Boron: another form. Science 147, 4950 (1965). (literal)

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