title: Formation of hexagonal boron nitride by metal atomic vacancy-assisted B-N molecular diffusion.
abstract: Because of the low solubility of N atoms in metals, hexagonal boron nitride (h-BN) growth has explained by surface reaction on metal rather than by penetration/precipitation of B and N atoms in metal. Here, we present an impressive pathway of h-BN formation at the interface between Ni and oxide substrate based on B-N molecular diffusion into Ni through individual atomic vacancies. First-principles calculations confirmed the formation energies of the h-BN layers on and under the metal and the probability of B-N molecular diffusion in metal. The interface growth behavior depends on the species of metal catalysts, and these simulation results well support experimental results.
authors.affiliation: Nano electronics Laboratory and ‡Platform Technology Laboratory, Samsung Advanced Institute of Technology , Suwon 443-801, Republic of Korea.
authors.forename: Seongjun
authors.initials: S
authors.lastname: Park
authors.forename: Jinyeong
authors.initials: J
authors.lastname: Lee
authors.forename: Han Sol
authors.initials: HS
authors.lastname: Kim
authors.forename: Jong-Bong
authors.initials: JB
authors.lastname: Park
authors.forename: Kang Hyuck
authors.initials: KH
authors.lastname: Lee
authors.forename: Sang A
authors.initials: SA
authors.lastname: Han
authors.forename: Sungwoo
authors.initials: S
authors.lastname: Hwang
authors.forename: Sang-Woo
authors.initials: SW
authors.lastname: Kim
authors.forename: Hyeon-Jin
authors.initials: HJ
authors.lastname: Shin
keywords: B−N molecular diffusion; growth mechanism; hexagonal boron nitride; interfacial growth