Interfacial properties of penta-graphene-metal contacts

Hassan, Arzoo; Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

doi:10.1063/1.5085414

Title: Interfacial properties of penta-graphene-metal contacts

Journal Article · Thu Feb 14 00:00:00 EST 2019 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5085414· OSTI ID:1610324

Hassan, Arzoo ^[1]; Guo, Yaguang ^[1]; Wang, Qian ^[1]; Kawazoe, Yoshiyuki ^[2]; Jena, Puru ^[3]

Peking Univ., Beijing (China)
Tohoku Univ., Sendai (Japan)
Virginia Commonwealth Univ., Richmond, VA (United States)

Novel properties of penta-graphene (PG) have stimulated great interest in exploring its potential for device applications. Here, we systematically study the interfacial properties of the heterojunctions constructed by stacking PG on several metal substrates (Ag, Al, Au, Cr, Cu, Pd, and Ti), which are commonly used in field-effect transistors. We consider PG as the channel material because of its semiconducting feature, while treating the metal surfaces as the electrodes. Based on first principles calculations, we show that PG preserves its pentagonal feature with some small distortions when deposited on the metal substrates but undergoes metallization due to the chemical bonding between PG and the metal surfaces. We evaluate the device potential of these PG-metal contacts by studying their tunneling barriers, orbital overlaps, and Schottky barriers. Here, we find that PG forms an n-type Schottky barrier when in contact with Al, Cu, and Ti, but forms a p-type Schottky barrier when supported on Ag, Au, Cr, and Pd. Our study sheds light on the design and fabrication of PG-based electronic devices.

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Research Organization:: Virginia Commonwealth Univ., Richmond, VA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF); National Key Research and Development Program of China

Grant/Contract Number:: FG02-96ER45579; NSFC-21773004; 2016YFE0127300; 2017YFA0205003

OSTI ID:: 1610324

Journal Information:: Journal of Applied Physics, Vol. 125, Issue 6; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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Title: Interfacial properties of penta-graphene-metal contacts

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