Materials Reports  2019, Vol. 33 Issue (z1): 33-36 |
| INORGANIC MATERIALS AND CERAMIC MATRIX COMPOSITES |
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| Study on the Electronic Structure and Optical Properties of Different Concentrations of Ag-doped ZnS Using First-principles |
| WANG Junqi1, ZHANG Yanmin1, CHEN Tiandi1, WANG Heng1, TIAN Linbo1, FENG Chao2,3, XIA Jinbao2, ZHANG Sasa1
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1 School of Information Science and Engineering, Shandong University, Jinan 250100
2 State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100
3 Advanced Research Center for Optics, Shandong University, Qingdao 266237 |
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Abstract ZnS, which has excellent thermal infrared transparency, is an important semiconductor material with wide band gap. It has great potential in electroluminescence and fluorescence effects, and is therefore widely used in the fields of light-emitting devices and photocatalysis. Appropriate doping of ZnS can effectively change its luminescence and absorption properties, which makes it more widely used as a luminescent mate-rial. Based on the first principles and the density functional theory, the crystallographic structure, electronic properties and optical properties of ZnS with Ag doping concentrations of 0%, 3.125%, 9.375%, 25% and 50% respectively, were calculated and compared. The results show that higher doping concentration can effectively reduce the band gap and enhance the absorption and reflection of ZnS in the infrared band. This study provides a theoretical basis for the preparation of Ag-doped ZnS semiconductors.
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Published: 05 July 2019
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| About author:: Junqi Wang is a postgraduate of Shandong University, majoring in optical engineering. He is engaged in the research of optical-related properties of materials based on the first-principles theory.Sasa Zhang graduated from the Department of Optics of Shandong University in 1986, obtained his master’s degree in June 1991, and received a Ph.D. in Sino-US program in June 2008. He is a member of the Professional Committee of Infrared and Optoelectronic Devices of China Optical Society, Director of Shandong Laser Society, and Vice Chairman of Jinan Metrology Society. He is engaged in the teaching and research work in the fields of laser physics and technology, optoelectronic devices, optical fiber sensing, spectroscopy technology and application, nanomaterial preparation and characterization. He has published more than 80 SCI and EI papers and 7 national invention patents. |
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