Revealing the improved stability of amorphous boron-nitride upon carbon doping. Issue 3 (10th January 2023)

• Record Type: Journal Article
• Authors: Kaya, Onurcan; Colombo, Luigi; Antidormi, Aleandro; Lanza, Mario; Roche, Stephan
• Is Part Of: Nanoscale horizons. Volume 8:Issue 3(2023)
• Page Start: 361
• Page End: 367
• Publication Date: 2023-01-10
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/d2nh00520d
• Languages: English
• ISSNs: 2055-6756

Abstract

Abstract : We report on a large improvement of the thermal stability and mechanical properties 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 sp 3 /sp 2 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.