First Principles Study on Magnetic and Optical Properties of Single Layer CrSi₂

Abstract:

According to first-principle based on the density functional theory, the magnetic and optical properties of single layer CrSi₂ are calculated and analyzed by plane wave pseudo potential method. The band structure, density of state, optical absorption spectra, reflectivity and energy loss function of single layer CrSi₂ are obtained. The results show that single layer CrSi₂ has the properties of metal and magnetism. The calculations of optical properties of single layer CrSi₂ material deduce that it can absorb photons which belong to visible to ultraviolet region, even in far-infrared and far-ultraviolet regions. Single layer CrSi₂ has a good optical permeability to photon (with energy from 13 to 40eV), which shows that single layer CrSi₂ is suitable for optoelectronic devices, especially in infrared and vacuum ultraviolet detection applications.

• Periodical: Key Engineering Materials (Volume 787)
• Pages: 53-59
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.787.53
• Online since: November 2018
• Authors: Shao Bo Chen*, Kai Li Yao, Ping Huang, Ze Lan Jiang, Shi Lian Lv, Zheng Song Luo
• Keywords: Electronic Structure, First Principle, Optical Properties, Single Layer CrSi₂

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