Ab initio simulations of metal contacts for graphene-based devices
Abstract
The precise atomic structure of a metal contact significantly affects the performance of nanoscale electronic devices. We use an accurate, DFT-based non-equilibrium Green’s function method to evaluate various metal contacts with graphene or graphene nanoribbons. For surface metal contacts not chemically bound to graphene, Ti contacts have lower resistance than those of Au, Ca, Ir, Pt, and Sr. However, as an edge contact, Ti has larger resistance than Au. Bridging O atoms at Ti and Au edge contacts lowers the transmission by over 30%.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 02, 2022
- Source ID
- 10.1063/5.0091028
Entities
People
- Hancheng Qin
- Jerzy Bernholc
- Wenchang Lu
Organizations
- North Carolina State University
- Office of Naval Research
- United States Department of Energy