First-principle study of the electronic structure of layered Cu2Se
Ju-Xia Yi,
Rui-Zi Zhang,
Yu-Yang Zhang
et al.
Abstract:Copper selenide (Cu2Se) has attracted significant attention due to the extensive applications in thermoelectric and optoelectronic devices over the last few decades. Among various phase structures of Cu2Se, layered Cu2Se exhibits unique properties, such as purely thermal phase transition, high carrier mobility, high optical absorbance and high photoconductivity. Herein, we carry out a systematic investigation for the electronic structures of layered Cu2Se with several exchange-correlation functionals at differ… Show more
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