Premium
Tetrahedral amorphous boron nitride: A hard material
Author(s) -
Durandurdu Murat
Publication year - 2020
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.16803
Subject(s) - boron nitride , amorphous solid , tetrahedron , materials science , diamond , amorphous carbon , polyamorphism , band gap , boron , graphite , nitride , bulk modulus , crystallography , coordination number , molecular dynamics , diamond cubic , nanotechnology , computational chemistry , composite material , chemistry , optoelectronics , organic chemistry , layer (electronics) , ion
We generate a tetrahedrally coordinated amorphous boron nitride (BN) model by means of first principles molecular dynamics calculations and report its mechanical and electrical properties in detail. The amorphous configuration is almost free from chemical disorder and consists of about 20% coordination defects, similar to tetrahedral (diamond‐like) amorphous carbon. Its theoretical band gap energy is about 2.0 eV, less than 4.85 eV estimated for cubic BN. The bulk modulus and Vickers hardness of tetrahedral amorphous BN are computed as 206 GPa and 28‐35 GPa, respectively. Based on these findings, we propose that tetrahedral noncrystalline BN can serve as electronic and hard materials as well.