First principles study of metal/Bi2Te3 interfaces: Implications to reduce contact resistance

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Scopus citations


We investigate the band offsets and stability for Ni/Bi2Te 3 and Co/Bi2Te3 interfaces by first principles calculations. It is found that the surface termination strongly affects the band offsets. Ni and Co are found to form Ohmic contacts to Bi2Te 3. The interface formation energies for Co/Bi2Te 3 interfaces are much lower than those of Ni/Bi2Te 3 interfaces. Our calculations are consistent with the experimental data. © 2009 Materials Research Society.
Original languageEnglish (US)
Title of host publication2009 MRS Spring Meeting: Materials and Devices for Thermal-to-Electric Energy Conversion
Number of pages6
StatePublished - Dec 1 2009

Bibliographical note

KAUST Repository Item: Exported on 2020-12-29
Acknowledgements: This research is supported by II-VI foundation, a private foundation. We thank Dr. Jeff Sharp for
useful discussions. Calculations were performed on the clusters in TEXAS ADVANCED


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