Abstract
The effect of Co content and hydrostatic pressure on the electronic structure and absorption properties of wurtzite ZnO has been investigated by first principles calculations. The results reveal that the splitting between the energy levels of Co 3d states increased with pressures, which indicate the enhanced action of the crystalline field. In comparison to pure ZnO, a new peak appears in the low-energy region of the optical absorption spectrum in the system doped with Co and hydrostatic pressure is found to have great influence on the electronic transition of d–d orbital of Co atom in this system.
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Acknowledgment
This work was supported by National Natural Science Foundation of China (51302019), The Science and Technology Research Projects of Education Department of Jilin Province, China(No. 2014133) and The Research Funds of Science and Technology Development Program of Changchun city under Grant (No. 13GH11 and No. 14KG108).
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Leng, J., Wang, Dj., Sun, Zh., Liu, Wj., Liu, Rr. (2016). Effect of Co-doping on the Electronic Structure and Absorption Spectrum of Wurtzite ZnO Under Pressure. In: Huang, B., Yao, Y. (eds) Proceedings of the 5th International Conference on Electrical Engineering and Automatic Control. Lecture Notes in Electrical Engineering, vol 367. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-48768-6_46
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DOI: https://doi.org/10.1007/978-3-662-48768-6_46
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