Broadley Sarah, Gál Zoltán A, Corà Furio, Smura Catherine F, Clarke Simon J
Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, UK.
Inorg Chem. 2005 Nov 28;44(24):9092-6. doi: 10.1021/ic051240o.
The wide-band-gap semiconductor BaZnOS adopts a high-symmetry modification of the SrZnO2 structure type and contains layers of vertex-linked ZnO2S2 tetrahedra, which represent a novel coordination environment for zinc in the solid state. BaZnOS: orthorhombic, space group Cmcm; a = 3.9619(2) angstroms, b = 12.8541(7) angstroms, c = 6.1175(4) angstroms, Z = 4. Diffuse-reflectance spectroscopy measurements reveal a direct band gap of 3.9(3) eV, consistent with the white color and the results of band structure calculations. The band gap is larger than those observed in ZnO and ZnS, consistent with the more ionic nature of BaZnOS. Attempts to dope this compound electronically have so far not proved possible.
宽带隙半导体BaZnOS采用SrZnO2结构类型的高对称变体，包含由顶点相连的ZnO2S2四面体构成的层，这代表了固态中锌的一种新型配位环境。BaZnOS：正交晶系，空间群Cmcm；a = 3.9619(2)埃，b = 12.8541(7)埃，c = 6.1175(4)埃，Z = 4。漫反射光谱测量显示直接带隙为3.9(3)电子伏特，这与该化合物的白色以及能带结构计算结果一致。该带隙大于在ZnO和ZnS中观察到的带隙，这与BaZnOS更具离子性的性质相符。到目前为止，对该化合物进行电子掺杂的尝试尚未成功。
