Issue 3, 2023

Revealing the improved stability of amorphous boron-nitride upon carbon doping

Abstract

We report on a large improvement of the thermal stability and mechanical properties of amorphous boron-nitride upon carbon doping. By generating versatile force fields using first-principles and machine learning simulations, we investigate the structural properties of amorphous boron-nitride with varying contents of carbon (from a few percent to 40 at%). We found that for 20 at% of carbon, the sp3/sp2 ratio reaches a maximum with a negligible graphitisation effect, resulting in an improvement of the thermal stability by up to 20% while the bulk Young's modulus increases by about 30%. These results provide a guide to experimentalists and engineers to further tailor the growth conditions of BN-based compounds as non-conductive diffusion barriers and ultralow dielectric coefficient materials for a number of applications including interconnect technology.

Graphical abstract: Revealing the improved stability of amorphous boron-nitride upon carbon doping

Supplementary files

Article information

Article type
Communication
Submitted
04 nov 2022
Accepted
14 des 2022
First published
20 des 2022
This article is Open Access
Creative Commons BY-NC license

Nanoscale Horiz., 2023,8, 361-367

Revealing the improved stability of amorphous boron-nitride upon carbon doping

O. Kaya, L. Colombo, A. Antidormi, M. Lanza and S. Roche, Nanoscale Horiz., 2023, 8, 361 DOI: 10.1039/D2NH00520D

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