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. 2016 Nov 22;6:36578. doi: 10.1038/srep36578

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(a) Band structure of BaFZnAs: the weight of As (Zn) p (s)-orbitals is in blue (red). (b) Band gaps with different heights of As for h_As = 0.6755, h_As = 0.6655 and h_As = 0.6455, respectively, which reveals that the band gap of BaFZnAs will increase (decrease) if the As is slightly moved to the BaF-(Zn) layer.