Molecular dynamics study of deposition mechanism of cubic boron nitride

Abstract

We have performed molecular dynamics simulations of bombardment of graphitic boron nitride (gBN) by energetic boron and nitrogen particles in order to examine the roles of ion bombardment in ion/plasma-assisted deposition of cubic boron nitride (cBN) thin ®lms. We have found that the interaction of the energetic particles with gBN creates four-fold coordinated local structures (sp 3 -formation) inside gBN. We have also found that clusters of sp 3 -formations are created as a result of successive bombardment, some of which have cBN-like structures. On the basis of these results, we propose an atomic-scale model of cBN nucleation in which successive sp 3 -formation converts gBN into cBN. q

Elastic properties of various boron-nitride structures

“…The axial Young's moduli of the zigzag BNNTs, E 2 , [29] f parameters proposed by Albe and Moller [24] g resulted from Oh [29] h resulted from Koga et al [26] i resulted from Moon and Hwang [15] [25]. A similar phenomenon has been reported for the axial Young moduli of BNNTs theoretically calculated by Hernandez et al [12].…”

“…3, we will employ well-dened interatomic potentials. The Tersoff [20,21] or a modied Tersoff potential [22][23][24] has been generally used to describe the interaction between boron and nitrogen atoms in boron nitride crystals [14,15,18,[24][25][26][27]. However, the choice of the interatomic potential is rather arbitrary.…”

“…Using this potential, Koga et al [26] determined the bond lengths for h-BN and c-BN to be 1.462 Å and 1.555 Å, respectively. Moon and Hwang [15] reported the bond length between boron and nitrogen in both the zigzag and armchair BN nanotubes as 1.45 Å from the molecular-dynamic simulation.…”

Application of the Continuum-Lattice Thermodynamics

“…Using this potential, Koga et al (2001) have determined the bond lengths for a cubic BN to be 1.555Å. More recently, Brenner et al (2002) proposed a similar potential to the Tersoff-Brenner potential with new repulsive and attractive pair potentials:…”

A novel hydrothermal route to synthesize boron nitride nanocrystals

“…This advantage makes it the unrivaled material for the fabrication of cutting tools, super-hard protective coatings and grinding materials [1][2][3][4][5][6][7]. Because of its wide bandgap (e.g., %6.6 eV) and good thermal conductivity, cBN can also be widely used in the fabrications for microwave devices, short wavelength optoelectronic devices, high temperature and high power semiconductor devices [8][9][10].…”