Superhard semiconducting optically transparent high pressure phase of boron

An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. The structure, determined by single-crystal x-ray diffraction, consists of B12 icosahedra and B2 dumbbells. The charge density dis...

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Veröffentlicht in:	Physical review letters 2009-05, Vol.102 (18), p.185501-185501, Article 185501
Hauptverfasser:	Zarechnaya, E Yu, Dubrovinsky, L, Dubrovinskaia, N, Filinchuk, Y, Chernyshov, D, Dmitriev, V, Miyajima, N, El Goresy, A, Braun, H F, Van Smaalen, S, Kantor, I, Kantor, A, Prakapenka, V, Hanfland, M, Mikhaylushkin, A S, Abrikosov, I A, Simak, S I
Format:	Artikel
Sprache:	eng
Schlagworte:	BONDING BORON CHARGE DENSITY CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS COMPRESSIBILITY DIAMONDS DISTRIBUTION HARDNESS INTERACTIONS NATURAL SCIENCES NATURVETENSKAP PRESSURE RANGE GIGA PA PRESSURE RANGE MEGA PA 10-100 SPACE TEMPERATURE RANGE 0400-1000 K X-RAY DIFFRACTION
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Zusammenfassung:	An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. 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 ab initio calculations suggests covalent chemical bonding in this phase. Strong covalent interatomic interactions explain the low compressibility value (bulk modulus is K300=227 GPa) and high hardness of high-pressure boron (Vickers hardness HV=58 GPa), after diamond the second hardest elemental material.
ISSN:	0031-9007 1079-7114
DOI:	10.1103/physrevlett.102.185501