Quantum electronic mechanisms of atomic rearrangements during growth of hard carbon films

A comparison study between atomic and ionic nitrogen doped carbon films prepared by ion beam assisted cathode arc deposition at various pulse frequencies

“…Neuville [30] has reviewed that the conclusions on the material structure (various characterization results) should always be in agreement to each other and especially coherent with the hardness measurement. The hardness itself depends on chemical bonds [2,14,17,21,26,29] and atomic density within the films, especially when other types of atoms (contaminants, dopants such as O, N, B and metals) are incorporated in the carbon based films [31].…”

“…According to the reference [16,30,37,38], the shift in the G peak position toward lower wavenumbers can reveal an increase in diamond-like phase, and the width of the G peak has already been well established as being related to the disorder degree of bond angle at the sp 2 sites within ␣-C films. In Fig.…”

Growth mechanism of hydrogenated amorphous carbon films: Molecular dynamics simulations

“…As for the interatomic interaction, the second-generation reactive empirical bond order (REBO) potential [26] with increased cutoff [27] was adopted for solid carbon and hydrocarbon molecules. Although without explicit description of the quantum electronic activation effects [23], REBO potential allowed for a good description of covalent bond breaking/ forming in carbon-based materials and accurate calculation of bond energies, length, and force constants for hydrocarbon molecules, hence complex chemistry in large many-atom systems could be modeled.…”

“…Wang et al [10] studied the role of CH 4 /Ar ratio in source gas in hydrogen content, sp 3 /sp 2 ratio and microstructure of a-C:H films. Neuville et al [23] proposed a quantum electronic atomic rearrangement criteria for hard carbon materials, which was compatible with the electronic quantum rules to apply to the involved interatomic binding electrons. The criteria took the sp 3 rearrangement activation effects into consideration by sorting out all involved effects, suggesting the superposition of two competing categories of effects, i.e.…”

Catalytic effect of Al and AlN interlayer on the growth and properties of containing carbon films

“…Diamond-like carbon (DLC) films have attracted special attention on their practical applications due to excellent properties, such as high hardness, thermal conductivity, optical transparency, chemical inertness, biocompatibility, tribological and electrical properties [1,2]. Usually the drawbacks of DLC material present in their applications have been avoided or reduced by the way of doping element, multilayer films and post-annealing [3][4][5].…”