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

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 proceeding › Conference contribution

Abstract

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 language	English (US)
Title of host publication	2009 MRS Spring Meeting: Materials and Devices for Thermal-to-Electric Energy Conversion
Pages	103-108
Number of pages	6
State	Published - 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
COMPUTER CENTER (TACC).

Cite this

@inproceedings{009d199b8a8842e0a1a8b290c7d04efc,

title = "First principles study of metal/Bi2Te3 interfaces: Implications to reduce contact resistance",

abstract = "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. {\textcopyright} 2009 Materials Research Society.",

author = "Ka Xiong and Weichao Wang and Alshareef, {Husam N.} and Gupta, {Rahul P.} and White, {John B.} and Gnade, {Bruce E.} and Kyeongjae Cho",

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 COMPUTER CENTER (TACC).",

year = "2009",

month = dec,

day = "1",

language = "English (US)",

isbn = "9781605111391",

pages = "103--108",

booktitle = "2009 MRS Spring Meeting: Materials and Devices for Thermal-to-Electric Energy Conversion",

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TY - GEN

T1 - First principles study of metal/Bi2Te3 interfaces: Implications to reduce contact resistance

AU - Xiong, Ka

AU - Wang, Weichao

AU - Alshareef, Husam N.

AU - Gupta, Rahul P.

AU - White, John B.

AU - Gnade, Bruce E.

AU - Cho, Kyeongjae

N1 - 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 COMPUTER CENTER (TACC).

PY - 2009/12/1

Y1 - 2009/12/1

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/666695

UR - https://research.kaust.edu.sa/en/publications/first-principles-study-of-metalbisub2subtesub3sub-interfaces-impl

UR - http://www.scopus.com/inward/record.url?scp=74549175901&partnerID=8YFLogxK

M3 - Conference contribution

SN - 9781605111391

SP - 103

EP - 108

BT - 2009 MRS Spring Meeting: Materials and Devices for Thermal-to-Electric Energy Conversion

ER -

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

Abstract

Bibliographical note

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