Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators
Abstract
Topological insulators are of interest for many applications in electronics and optoelectronics, but harnessing their unique properties requires detailed understanding and control of charge injection at electrical contacts. Here we present large-scale ab initio calculations of the electronic properties of Au, Ni, Pt, Pd, and graphene contacts to Bi2Se3. We show that regardless of the metal, the Fermi level is located in the conduction band, leading to n-type Ohmic contact to the first quintuplet. Furthermore, we find strong charge transfer and band-bending in the first few quintuplets, with no Schottky barrier for charge injection even when the topoplogical insulator is undoped. Our calculations indicate that Au and graphene leave the spin-momentum locking mostly unaltered, but on the other hand, Ni, Pd, and Pt strongly hybridize with Bi2Se3 and relax spin-momentum locking. In conclusion, our results indicate that judicious choice of the contact metal is essential to reveal the unique surface features of topological insulators.
- Authors:
-
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1146010
- Alternate Identifier(s):
- OSTI ID: 1179988
- Report Number(s):
- SAND2014-4426J
Journal ID: ISSN 1098-0121; PRBMDO; 519438
- Grant/Contract Number:
- AC04-94AL85000; N0001413IP20091; AC01-94-AL85000; DEAC01-94-AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 90; Journal Issue: 8; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Bi₂Se₃; contacts; topological insulator; Fermi-level pinning; charge transfer
Citation Formats
Spataru, Catalin D., and Léonard, François. Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators. United States: N. p., 2014.
Web. doi:10.1103/PhysRevB.90.085115.
Spataru, Catalin D., & Léonard, François. Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators. United States. https://doi.org/10.1103/PhysRevB.90.085115
Spataru, Catalin D., and Léonard, François. Wed .
"Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators". United States. https://doi.org/10.1103/PhysRevB.90.085115. https://www.osti.gov/servlets/purl/1146010.
@article{osti_1146010,
title = {Fermi-level pinning, charge transfer, and relaxation of spin-momentum locking at metal contacts to topological insulators},
author = {Spataru, Catalin D. and Léonard, François},
abstractNote = {Topological insulators are of interest for many applications in electronics and optoelectronics, but harnessing their unique properties requires detailed understanding and control of charge injection at electrical contacts. Here we present large-scale ab initio calculations of the electronic properties of Au, Ni, Pt, Pd, and graphene contacts to Bi2Se3. We show that regardless of the metal, the Fermi level is located in the conduction band, leading to n-type Ohmic contact to the first quintuplet. Furthermore, we find strong charge transfer and band-bending in the first few quintuplets, with no Schottky barrier for charge injection even when the topoplogical insulator is undoped. Our calculations indicate that Au and graphene leave the spin-momentum locking mostly unaltered, but on the other hand, Ni, Pd, and Pt strongly hybridize with Bi2Se3 and relax spin-momentum locking. In conclusion, our results indicate that judicious choice of the contact metal is essential to reveal the unique surface features of topological insulators.},
doi = {10.1103/PhysRevB.90.085115},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 8,
volume = 90,
place = {United States},
year = {Wed Aug 13 00:00:00 EDT 2014},
month = {Wed Aug 13 00:00:00 EDT 2014}
}
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