Abstract
On the bases of two different approaches (solid-state and quantum-chemical) adsorption of nitrogen atom and ammonia molecules on SiC substrate is considered. In the solid-state approach with the use of the Haldane- Anderson density of state model for the 4 H- and 6 H-SiC polytypes, it is shown that the binding energies for N and N2 are 6 and 3 eV correspondingly. In the quantum-chemical approach with the use of the surface molecule model for N the binding energy values are 6 eV for adsorption on C-face and 4 eV for adsorption on Si-face. It is demonstrated also that the charge transfer between adsorbate and substrate for all the cases considered are negligible.
Acknowledgments
Authors are indebted to S.A. Kukushkin for the proposal of this work and helpful discussion.
Disclosure statement
The authors declare that they have no competing interests.