Single-Crystal Diamond Needle Fabrication Using Hot-Filament Chemical Vapor Deposition

Single-crystal diamonds in the form of micrometer-scale pyramids were produced using a combination of hot-filament (HF) chemical vapor deposition (CVD) and thermal oxidation processes. The diamond pyramids were compared here with similar ones that were manufactured using plasma-enhanced (PE) CVD. The similarities revealed in the morphology, Raman, and photoluminescent characteristics of the needles obtained using the hot-filament and plasma-enhanced CVD are discussed in connection with the diamond film growth mechanism. This work demonstrated that the HF CVD method has convincing potential for the fabrication of single-crystal diamond needles in the form of regularly shaped pyramids on a large surface area, even on non-conducting substrates. The experimental results demonstrated the ability for the mass production of the single-crystal needle-like diamonds, which is important for their practical application.

Effect of Nitrogen on the Growth of (100)-, (110)-, and (111)-Oriented Diamond Films

The aim of this research is the study of hydrogen abstraction reactions and methyl adsorption reactions on the surfaces of (100), (110), and (111) oriented nitrogen-doped diamond through first-principles density-functional calculations. The three steps of the growth mechanism for diamond thin films are hydrogen abstraction from the diamond surface, methyl adsorption on the diamond surface, and hydrogen abstraction from the methylated diamond surface. The activation energies for hydrogen abstraction from the surface of nitrogen-undoped and nitrogen-doped diamond (111) films were −0.64 and −2.95 eV, respectively. The results revealed that nitrogen substitution was beneficial for hydrogen abstraction and the subsequent adsorption of methyl molecules on the diamond (111) surface. The adsorption energy for methyl molecules on the diamond surface was generated during the growth of (100)-, (110)-, and (111)-oriented diamond films. Compared with nitrogen-doped diamond (100) films, adsorption energies for methyl molecule adsorption were by 0.14 and 0.69 eV higher for diamond (111) and (110) films, respectively. Moreover, compared with methylated diamond (100), the activation energies for hydrogen abstraction were by 0.36 and 1.25 eV higher from the surfaces of diamond (111) and (110), respectively. Growth mechanism simulations confirmed that nitrogen-doped diamond (100) films were preferred, which was in agreement with the experimental and theoretical observations of diamond film growth.

Theoretical Study of Sulphur Atoms’ Adsorption and Migration Behaviors on Diamond (001) Surface

The adsorption and migration of sulphur (S) atoms on the diamond (001) surface were investigated through first principles calculations to discover the inherent law in S-doped diamond film growth. Results indicated that deposited S atoms could abstract the hydrogen atom on the surface. The adsorption energies were in a range of 2.47 to 5.5 eV when S atoms were deposited on the hydrogen terminated surface or the surface with open radical sites (ORSs). The S atom could migrate on the surface of the 3ORS slabs and the energy barrier was approximately 1.35 eV. The calculations of the projected density of states and the analysis of the magnetic moments presented an interesting result, which demonstrated the evolving phenomena in S-doped diamond film growth and discovered the inherent laws. On the 2ORS slabs, the magnetic moment of the S atom became 0.000 μB after bonding with the two carbon atoms. In such case, a new doped C atom combined with the S atom with a triple bond, and then the C–S molecule was desorbed from the surface. The abstraction of the adsorbed S atom results from the fact that S atoms have six electrons in their outermost electron shell. This finding revealed the reason behind the low S incorporation and the growth rate decrease in S-doped diamond film deposition. This discovery also indicated that atoms with six electrons in their outermost electron shell might hardly be doped into the diamond films during the deposition process.