A first-principles study of the transition metals doped ZnSe crystal synthesized by vapor phase thermal diffusion method

Yuqin Zhang; Guoying Feng; Shouhuan Zhou

doi:10.1117/12.2236152

16 September 2016 A first-principles study of the transition metals doped ZnSe crystal synthesized by vapor phase thermal diffusion method

Yuqin Zhang, Guoying Feng, Shouhuan Zhou

Author Affiliations +

Proceedings Volume 9920, Active Photonic Materials VIII; 99200L (2016) https://doi.org/10.1117/12.2236152
Event: SPIE Nanoscience + Engineering, 2016, San Diego, California, United States

Abstract

Transition metals (TM) doped ZnSe crystals were synthesized by vapor phase thermal diffusion method. The absorption spectra of TM²⁺-doped ZnSe crystal were measured. First-principles calculations of the electronic structure and optical properties of TM²⁺: ZnSe were performed. The results demonstrate that when Zn is replaced by a TM atom, impurity bands (IB) are created in the bandgap and additional absorption peak appears in infrared region. The experimental absorption spectra match well with the calculated results, which is identified by electronic calculations to be caused by d-d transitions of TM²⁺ ions.

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Yuqin Zhang, Guoying Feng, and Shouhuan Zhou "A first-principles study of the transition metals doped ZnSe crystal synthesized by vapor phase thermal diffusion method", Proc. SPIE 9920, Active Photonic Materials VIII, 99200L (16 September 2016); https://doi.org/10.1117/12.2236152

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