Cubic BC2N was synthesized from graphite-like BC2N at pressures above 18 GPa and temperatures higher than 2200 K. The lattice parameter of c-BC2N at ambient conditions is 3.642(2) Å, which is larger by 1.48% than would be expected based on ideal mixing between diamond and cubic boron nitride. The bulk modulus of c-BC2N is 282 GPa which is one of the highest bulk moduli known for any solid, and is exceeded only by the bulk moduli of diamond and c-BN. The hardness of c-BC2N is higher than that of c-BN single crystals which indicates that the synthesized phase is only slightly less hard than diamond.
Nature 457, 863-867 (2009) 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 c-B 28 . This phase is comprised of icosahedral B 12 clusters and B 2 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 (B 2 ) d1 (B 12 ) d2 . 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-B 28 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.
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