Моделювання енергетичної діаграми окисненої поверхні моноселеніду олова
On the basis of the approach that combines the method of linear combination of atomic orbitals and pseudopotential method, energy band diagram for tin monoselenide with tin monooxide surface layer has been simulated. The band gap, electron affinity and the energy of the valence-band maximum have bee...
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| Datum: | 2012 |
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| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | Ukrainisch |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2012
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| Online Zugang: | https://www.cpts.com.ua/index.php/cpts/article/view/181 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
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Chemistry, Physics and Technology of Surface| Zusammenfassung: | On the basis of the approach that combines the method of linear combination of atomic orbitals and pseudopotential method, energy band diagram for tin monoselenide with tin monooxide surface layer has been simulated. The band gap, electron affinity and the energy of the valence-band maximum have been determined with account of intra-atomic Coulomb repulsion as well as the influence of the polarity of chemical bond on the metallic bond energy. The energy positions of the surface states for tin atoms have been calculated. Energy band diagram of SnSe–SnO heterostructure under equilibrium conditions allowing for the surface states at the interface is given. |
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