| 引用本文: | 马群超,张水,周强,史新伟.TiN薄膜光学性质与色散分析的第一性原理研究[J].材料科学与工艺,2019,27(3):85-89.DOI:10.11951/j.issn.1005-0299.20180077. |
| MA Qunchao,ZHANG Shui,ZHOU Qiang,SHI Xinwei.Study on optical properties and dispersion analysis of titanium nitride films by first-principle theory[J].Materials Science and Technology,2019,27(3):85-89.DOI:10.11951/j.issn.1005-0299.20180077. |
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| 摘要: |
| 为研究氮气流量对TiN薄膜光学性能的影响，本文利用反应磁控溅射技术，在不同氮气分压下制备了氮化钛薄膜.采用第一性原理方法计算了氮化钛的态密度和光学常数，详细分析了氮化钛的电子态密度以及介电函数的色散关系，得出了适合氮化钛的Drude-3Lorentz色散模型；采用此模型拟合了椭圆偏振光谱仪测试出的薄膜介电函数谱.结果表明：随着氮分压的降低，薄膜的等离子体共振频率向高能方向移动，金属性增强，薄膜中的晶格缺陷增多，晶界散射和缺陷吸收作用增强，可见光区的透射率下降. |
| 关键词: 氮化钛 光学性质 第一性原理 介电函数 磁控溅射 |
| DOI：10.11951/j.issn.1005-0299.20180077 |
| 分类号:TB34；O484 |
| 文献标识码:A |
| 基金项目:国家自然科学基金资助项目(61076041)；河南省基础与前沿技术研究项目(152300410038);河南省自然科学基金项目(18230040192). |
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| Study on optical properties and dispersion analysis of titanium nitride films by first-principle theory |
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MA Qunchao, ZHANG Shui, ZHOU Qiang, SHI Xinwei
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(Physical Science Technology College, Zhengzhou University, Zhengzhou 450001, China)
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| Abstract: |
| In order to study the influence of N2 flow on the optical properties of titanium nitride (TiN), the reactive magnetron sputtering technique was adopted to deposit TiN films under different N2 partial pressures. The electric density state and optical constants of TiN films were calculated by the first-principle method. The electric density state and the dispersion relation of the dielectric function of TiN films were analyzed in detail, and the Drude-3Lorentz dispersion model suitable for TiN films was obtained. Using this model, dielectric function spectrum of the film tested by elliptic polarization spectrometer was fitted. Results show that with the decrease of the N2 partial pressure, the metallic characterizations of the films were improved because the plasma resonance frequency shifted to high energy. The lattice defects in the films increased, so the grain boundary scattering and absorption effect enhanced, and the visible light transmittance decreased. |
| Key words: titanium nitride optical properties first-principle theory dielectric function magnetron sputtering |
