Study on Electronic Structure of the Ti Ion Implantation Al2O3 (0001) Surface by First Principles

Jie Yu; Jing Chao Chen; Wei Ye; Miao Yang

doi:10.4028/www.scientific.net/AMR.634-638.2555

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Electropolymerization and Electrochromism Properties of Poly(m-trifluoromethylaniline)
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First-Principle Study of Structural and Electronic Properties of Ti-Doped SnO₂
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Preparation of La_0.9SR_0.1Ga_0.8Mg_0.2O₃_-δ Electrolyte Films Deposited by RF Magnetic Sputtering
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Study on Electronic Structure of the Ti Ion Implantation Al₂O₃ (0001) Surface by First Principles
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Comparative Investigation of Optical Properties in Tm³⁺/Er³⁺/Yb³⁺ Co-Doped Oxyfluoride Tellurite and Germanate Glasses
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Influence of Aging Treatments on the Microstructure Evolution in Mg-8.8Hg-8Ga (wt%) Alloys
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Study on the Dielectric Properties of Biomass Material of Tobacco Stems
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The Durability of Water and Oil Repellent Finishing of Cotton Fabrics with Isocyanate
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Study on Electronic Structure of the Ti Ion Implantation Al₂O₃ (0001) Surface by First Principles

Abstract:

The First-principles based on plane-wave pseudo-potentials methods was applied to investigate the lattice parameter, electronic structure and optical property of Al2O3 (0001 ) by Ti Ion implantation . The calculation result show that the color center is form by transfer electron between 3d of Ti ion orbit energy level and Al ion 3p orbit energy level. and the absorption peak is located at the region of 2.1eV, which located in 400nm-450nm,where corresponding to the color and the color was caused by F color center