Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

Ka Xiong, Weichao Wang, Husam N. Alshareef, Rahul P. Gupta, John B. White, Bruce E. Gnade, Kyeongjae Cho

Research output: Contribution to journalArticlepeer-review

57 Scopus citations


We investigate the electronic structures and stability for Ni/Bi 2Te3, NiTe/Bi2Te3, Co/Bi 2Te3 and CoTe2/Bi2Te3 interfaces by first-principles calculations. It is found that the surface termination strongly affects the band alignment. Ni and Co are found to form Ohmic contacts to Bi2Te3. The interface formation energy for Co/Bi2Te3 interfaces is much lower than that of Ni/Bi2Te3 interfaces. Furthermore, we found that NiTe on Bi2Te3 is more stable than Ni, while the formation energies for Co and CoTe2 on Bi2Te3 are comparable. © 2010 IOP Publishing Ltd.
Original languageEnglish (US)
Pages (from-to)115303
JournalJournal of Physics D: Applied Physics
Issue number11
StatePublished - Mar 4 2010

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work is supported by the II-VI Foundation, a private foundation. The authors thank Dr Jeff Sharp for useful suggestions.

ASJC Scopus subject areas

  • Surfaces, Coatings and Films
  • Acoustics and Ultrasonics
  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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