Lattice structures and electronic properties of WZ-CuInS 2 /MoS 2 interface from first-principles calculations

Applied Surface Science(2015)

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摘要
The atomic structure, bonding energy and electronic properties of the perfect WZ-CIS (100)/MoS2 (−100) interface with a lattice mismatch less than 3.5% are studied using the first principles calculation.
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关键词
First-principles calculation,WZ-CuInS2/MoS2 interface,Density of states,Interface bonding energy,Interface states
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