Ab initio study of the adsorption, diffusion, and intercalation of alkali metal atoms on the (0001) surface of the topological insulator Bi2Se3
| Autor: | Mikhail M. Otrokov, Eugene V. Chulkov, A. G. Ryabishchenkova, V. M. Kuznetsov |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
Surface diffusion
щелочные металлы Materials science диффузия атомов Intercalation (chemistry) Ab initio General Physics and Astronomy Context (language use) адсорбция атомов symbols.namesake Condensed Matter::Materials Science Adsorption Chemical physics Topological insulator symbols Physics::Atomic and Molecular Clusters топологические изоляторы van der Waals force Diffusion (business) интеркаляция атомов |
| Zdroj: | Journal of experimental and theoretical physics. 2015. Vol. 121, № 3. P. 465-476 Digital.CSIC. Repositorio Institucional del CSIC instname |
| Popis: | Ab initio study of the adsorption, diffusion, and intercalation of alkali metal adatoms on the (0001) step surface of the topological insulator Bi2Se3 has been performed for the case of low coverage. The calculations of the activation energies of diffusion of adatoms on the surface and in van der Waals gaps near steps, as well as the estimate of diffusion lengths, have shown that efficient intercalation through steps is possible only for Li and Na. Data obtained for K, Rb, and Cs atoms indicate that their thermal desorption at high temperatures can occur before intercalation. The results have been discussed in the context of existing experimental data. |
| Databáze: | OpenAIRE |
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