Ab-initio study of Schottky barrier heights at metal-diamond (1 1 1) interfaces

Chunmin Cheng,Zhaofu Zhang,Xiang Sun,Qingzhong Gui,Gai Wu,Fang Dong,Dongliang Zhang,Yuzheng Guo,Sheng Liu

Applied Surface Science（2023）

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摘要

•Stability of metals and diamond interface supercells are evaluated through the calculation of binding energy.•Reliable interfacial atomic models and detailed interface electronic structures are provided.•Potential application of each metal as an electrode was evaluated by Schottky barrier heights.

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关键词

Metal-diamond interface,Electrical characteristics,Metal-induced gap states,Schottky barrier heights,Tunneling probability

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