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Temperature dependent optical properties of silver from spectroscopic ellipsometry and density functional theory calculations

机译:光谱椭偏和密度泛函理论计算得出银的温度依赖性光学性质

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摘要

A detailed analysis of temperature dependence of optical constants of silver thin film measured by spectroscopic ellipsometry in the energy range 1.4 to 5 eV for temperatures ranging from 300 K to 650 K in steps of 50 K is presented in this paper. A microstructure modeling based on Bruggeman effective medium approximation is carried out on the temperature dependent optical constants. A red shift of ~300 meV accompanied by a broadening of the interband transition is observed and an additional weak absorption edge emerges from the lower energy side of main interband absorption transition at 550 K. Drude model is applied to perform the analysis of dielectric function in the low energy region. The energy loss function -Im(1/ε) shows large damping with increasing temperature and this is a consequence of increasing magnitude of ε_2 resulting from the composite transition in the region where ε_1 is very small. These experimental results are corroborated with first principles electronic structure calculations using the full potential linearized augmented plane wave method within the frame-work of density functional theory.
机译:本文详细介绍了在300 K至650 K的温度范围内以50 K的步长在1.4至5 eV的能量范围内通过光谱椭圆仪测量的银薄膜光学常数与温度的关系。基于与温度相关的光学常数,进行了基于布鲁格曼有效介质近似的微观结构建模。观察到约300 meV的红移,伴随着带间跃迁的扩大,并且在550 K时,从主带间吸收跃迁的较低能量侧出现了一个附加的弱吸收边缘。低能耗地区。能量损失函数-Im(1 /ε)在温度升高时显示出较大的阻尼,这是由于ε_1很小的区域中的复合跃迁导致ε_2幅度增大的结果。在密度泛函理论的框架内,使用全电位线性化增强平面波方法的第一原理电子结构计算证实了这些实验结果。

著录项

  • 来源
    《Journal of Applied Physics 》 |2013年第3期| 033515.1-033515.10| 共10页
  • 作者单位

    Surface and Nanoscience Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil Nadu, India;

    Materials Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil Nadu, India;

    Surface and Nanoscience Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil Nadu, India;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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  • 正文语种 eng
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