Band bending at the surface of Bi2Se3 studied from first principles
The band bending (BB) effect on the surface of the second-generation topological insulators implies a serious challenge to design transport devices. The BB is triggered by the effective electric field generated by charged impurities close to the surface and by the inhomogeneous charge distribution o...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2015-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/17/12/123011 |
| _version_ | 1797751032538726400 |
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| author | P Rakyta B Ujfalussy L Szunyogh |
| author_facet | P Rakyta B Ujfalussy L Szunyogh |
| author_sort | P Rakyta |
| collection | DOAJ |
| description | The band bending (BB) effect on the surface of the second-generation topological insulators implies a serious challenge to design transport devices. The BB is triggered by the effective electric field generated by charged impurities close to the surface and by the inhomogeneous charge distribution of the occupied surface states (SSs). Our self-consistent calculations in the Korringa–Kohn–Rostoker framework showed that in contrast to the bulk bands, the spectrum of the SSs is not bent at the surface. In turn, it is possible to tune the energy level of the Dirac point via the deposited surface dopants. In addition, the electrostatic modifications induced by the charged impurities on the surface induce long range oscillations in the charge density. For dopants located beneath the surface, however, these oscillations become highly suppressed. Our findings are in good agreement with recent experiments, however, our results indicate that the concentration of the surface doping cannot be estimated from the energy shift of the Dirac cone within the scope of the effective continuous model for the protected SSs. |
| first_indexed | 2024-03-12T16:42:30Z |
| format | Article |
| id | doaj.art-6bff8893efcb43f99c4b8d281895d960 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:42:30Z |
| publishDate | 2015-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-6bff8893efcb43f99c4b8d281895d9602023-08-08T14:24:29ZengIOP PublishingNew Journal of Physics1367-26302015-01-01171212301110.1088/1367-2630/17/12/123011Band bending at the surface of Bi2Se3 studied from first principlesP Rakyta0B Ujfalussy1L Szunyogh2Department of Theoretical Physics, Budapest University of Technology and Economics , H-1111 Budafoki út. 8, Hungary; MTA-BME Condensed Matter Research Group, Budapest University of Technology and Economics , H-1111 Budafoki út. 8, HungaryMTA Wigner RCP, H-1525 Budapest, PO Box 49, HungaryDepartment of Theoretical Physics, Budapest University of Technology and Economics , H-1111 Budafoki út. 8, Hungary; MTA-BME Condensed Matter Research Group, Budapest University of Technology and Economics , H-1111 Budafoki út. 8, HungaryThe band bending (BB) effect on the surface of the second-generation topological insulators implies a serious challenge to design transport devices. The BB is triggered by the effective electric field generated by charged impurities close to the surface and by the inhomogeneous charge distribution of the occupied surface states (SSs). Our self-consistent calculations in the Korringa–Kohn–Rostoker framework showed that in contrast to the bulk bands, the spectrum of the SSs is not bent at the surface. In turn, it is possible to tune the energy level of the Dirac point via the deposited surface dopants. In addition, the electrostatic modifications induced by the charged impurities on the surface induce long range oscillations in the charge density. For dopants located beneath the surface, however, these oscillations become highly suppressed. Our findings are in good agreement with recent experiments, however, our results indicate that the concentration of the surface doping cannot be estimated from the energy shift of the Dirac cone within the scope of the effective continuous model for the protected SSs.https://doi.org/10.1088/1367-2630/17/12/123011topological insulatorDirac coneband bending73.20.At |
| spellingShingle | P Rakyta B Ujfalussy L Szunyogh Band bending at the surface of Bi2Se3 studied from first principles New Journal of Physics topological insulator Dirac cone band bending 73.20.At |
| title | Band bending at the surface of Bi2Se3 studied from first principles |
| title_full | Band bending at the surface of Bi2Se3 studied from first principles |
| title_fullStr | Band bending at the surface of Bi2Se3 studied from first principles |
| title_full_unstemmed | Band bending at the surface of Bi2Se3 studied from first principles |
| title_short | Band bending at the surface of Bi2Se3 studied from first principles |
| title_sort | band bending at the surface of bi2se3 studied from first principles |
| topic | topological insulator Dirac cone band bending 73.20.At |
| url | https://doi.org/10.1088/1367-2630/17/12/123011 |
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