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Title: Electron transport in graphene/graphene side-contact junction by plane-wave multiple-scattering method

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [2];  [1]
  1. Univ. of Florida, Gainesville, FL (United States). Dept. of Physics and Quantum Theory Project
  2. Univ. of Florida, Gainesville, FL (United States). Dept. of Physics and Quantum Theory Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences. Computer Science and Mathematics Division
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Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a “side-contact” geometry which causes the current to flow perpendicular to the sheets within the device. Such geometry presents a challenge to first-principles transport methods. We solve this problem by implementing a plane-wave-based multiple-scattering theory for electron transport. In this study, this implementation improves the computational efficiency over the existing plane-wave transport code, scales better for parallelization over large number of nodes, and does not require the current direction to be along a lattice axis. As a first application, we calculate the tunneling current through a side-contact graphene junction formed by two separate graphene sheets with the edges overlapping each other. We find that transport properties of this junction depend strongly on the AA or AB stacking within the overlapping region as well as the vacuum gap between two graphene sheets. Finally, such transport behaviors are explained in terms of carbon orbital orientation, hybridization, and delocalization as the geometry is varied.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-02ER45995
OSTI ID:
1265537
Alternate ID(s):
OSTI ID: 1183247
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 19; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

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Cited By (1)

Structural, electronic, and magnetic properties of 3d transition metal doped GaN nanosheet: A first-principles study journal March 2016

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