On the Adsorption of Gases on Silicon Carbide: Simple Estimates
- Authors: Davydov S.Y.1, Posrednik O.V.2
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Affiliations:
- Ioffe Institute
- Saint-Petersburg Electrotechnical University
- Issue: Vol 61, No 8 (2019)
- Pages: 1490-1493
- Section: Surface Physics and Thin Films
- URL: https://journal-vniispk.ru/1063-7834/article/view/206057
- DOI: https://doi.org/10.1134/S1063783419080109
- ID: 206057
Cite item
Abstract
The adsorption of atomic and molecular nitrogen and ammonia on silicon carbide is considered within two physically different (solid-state and quantum-chemical) approaches. In the solid-state approach, the Haldane–Anderson model is used for the density of states of the SiC 4H and 6H polytypes to demonstrate that the energy of binding to the substrate is 6 and 3 eV for N atoms and N2 molecule, respectively. In the quantum-chemical approach, the model of a surface diatomic molecule is used to find that the binding energy of atomic nitrogen is 6 and 4 eV for adsorption on the C- and Si-edges, respectively. It has been established that the charge transfer between an adsorbate and the substrate may be neglected in all the considered cases. It has been hypothesized that the dissociation of a molecule with the further passivation of its dangling sp3-orbitals with hydrogen atoms takes place for silicon carbide as in the case of ammonia adsorption on Si(100).
About the authors
S. Yu. Davydov
Ioffe Institute
Author for correspondence.
Email: Sergei_Davydov@mail.ru
Russian Federation, St. Petersburg, 194021
O. V. Posrednik
Saint-Petersburg Electrotechnical University
Email: Sergei_Davydov@mail.ru
Russian Federation, St. Petersburg, 197376
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