The high-pressure compressibility of B12P2

Abstract

In situ high pressure synchrotron X-ray diffraction measurements were performed on icosahedral boron phosphide (B 12 P 2) to 43.2 GPa. No structural phase transition occurs over this pressure range. The bulk modulus of B 12 P 2 is with pressure derivative of. The structure is most compressible along the chain formed by phosphorus and boron atoms in the crystal structure. It is believed that the compressibility of boron-rich compounds at close to ambient pressure is determined by the boron icosahedral structure, while the inclusive atoms (both boron and non-boron) between the icosahedra determine the high-pressure compressibility and structure stability.

Ductility in Crystalline Boron Subphosphide (B12P2) for Large Strain Indentation

“…33 To examine the elastic properties and to validate our QM methods, we predicted the bulk modulus (B) and shear modulus (G) using Voigt−Reuss−Hill averaging. 34 We found B = 199.1 GPa and G = 190.9 GPa for B 12 P 2 , which is consistent with previous experiments 35,36 (B = 192 GPa 35 and B = 207 GPa 36 ). The elastic moduli are listed in the Table S1 of the Supporting Information (SI).…”

Shear-Driven Chemical Decomposition of Boron Carbide

“…The high symmetrical boron cluster of 12-element icosahedron has been proved to be a stable structure in boron and boron-rich compound. − Compression of these materials turned out only to be able to affect the other structures made of single elements or other clusters. The decomposition of B 4 C to B 50 C 2 and graphite involves the breakdown of boron icosahedra.…”

Structure and equation of state of tetragonal boron subnitride B50N2

“…The bulk moduli of boron subnitrides, boron allotropes (α-B 12 [24,25], β-B 106 [24,26,27], γ-B 28 [28,29], t′-B 52 [23]) and some boron-rich compounds with structures related to -rhombohedral boron [9,[30][31][32][33][34][35][36] are summarized in Table IV and Fig. 5.…”