title: Graphdiyne-metal contacts and graphdiyne transistors.
abstract: Graphdiyne was prepared on a metal surface, and the preparation of devices using it inevitably involves its contact with metals. Using density functional theory with dispersion correction, we systematically studied, for the first time, the interfacial properties of graphdiyne that is in contact with a series of metals (Al, Ag, Cu, Au, Ir, Pt, Ni, and Pd). Graphdiyne forms an n-type Ohmic or quasi-Ohmic contact with Al, Ag, and Cu, while it forms a Schottky contact with Pd, Au, Pt, Ni, and Ir (at the source/drain-channel interface), with high Schottky barrier heights of 0.21, 0.46 (n-type), 0.30, 0.41, and 0.46 (p-type) eV, respectively. A graphdiyne field effect transistor (FET) with Al electrodes was simulated using quantum transport calculations. This device exhibits an on-off ratio up to 10(4) and a very large on-state current of 1.3 × 10(4) mA mm(-1) in a 10 nm channel length. Thus, a new prospect has opened up for graphdiyne in high performance nanoscale devices.
authors.affiliation: State Key Laboratory of Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R. China.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Pan
authors.forename: Yangyang
authors.initials: Y
authors.lastname: Wang
authors.forename: Lu
authors.initials: L
authors.lastname: Wang
authors.forename: Hongxia
authors.initials: H
authors.lastname: Zhong
authors.forename: Ruge
authors.initials: R
authors.lastname: Quhe
authors.forename: Zeyuan
authors.initials: Z
authors.lastname: Ni
authors.forename: Meng
authors.initials: M
authors.lastname: Ye
authors.forename: Wai-Ning
authors.initials: WN
authors.lastname: Mei
authors.forename: Junjie
authors.initials: J
authors.lastname: Shi
authors.forename: Wanlin
authors.initials: W
authors.lastname: Guo
authors.forename: Jinbo
authors.initials: J
authors.lastname: Yang
authors.forename: Jing
authors.initials: J
authors.lastname: Lu