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Superhard semiconducting optically transparent high pressure phase of boron

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Zarechnaya, E.Yu. Dubrovinsky, L. Dubrovinskaia, N. Filinchuk, Yaroslav [UCL] Chernyshov, D. Simak, S.I.

An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9GPa and high temperature, and it was demonstrated to be stable at least up to 30GPa. The structure, determined by single-crystal x-ray diffraction, consists of B12 icosahedra and B2 dumbbells. The charge density distribution obtained from experimental data and abinitio calculations suggests covalent chemical bonding in this phase. Strong covalent interatomic interactions explain the low compressibility value (bulk modulus is K300=227GPa) and high hardness of high-pressure boron (Vickers hardness HV=58GPa), after diamond the second hardest elemental material. © 2009 The American Physical Society.

Document type Article de périodique (Journal article) – Article de recherche
Publication date 2009
Language Anglais
Journal information "Physical Review Letters" - Vol. 102, no.18, p. 1-4 (2009)
Peer reviewed yes
issn 0031-9007
Publication status Publié
Affiliation ESRF, Grenoble (France) - Chimie
Keywords Ab-initio calculations ; Inter-atomic interactions ; Single-crystal X-ray diffractions ; Space groups ; Superhard ; Boron compounds ; Chemical bonds ; Crystal structure ; Vickers hardness ; Semiconducting boron ; B12 icosahedron ; Bulk modulus ; Charge density distributions ; Covalent chemical bondings ; Experimental datum ; High hardness ; High temperatures ; High-pressure phase
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Bibliographic reference Zarechnaya, E.Yu. ; Dubrovinsky, L. ; Dubrovinskaia, N. ; Filinchuk, Yaroslav ; Chernyshov, D. ; et. al. Superhard semiconducting optically transparent high pressure phase of boron . In: Physical Review Letters, Vol. 102, no.18, p. 1-4 (2009)
Permanent URL http://hdl.handle.net/2078/126851