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The pressure effect on the electronic and optical properties of Re3N: first-principles calculations

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Abstract

A systematic investigation into electronic and optical properties of Re3N at ambient and high pressure by density functional theory with the generalized gradient approximation has been presented in this paper. Optical properties such as the dielectric function, refractive index, absorption, reflectivity, and electron energy-loss spectrum are obtained successfully. The features in the spectra of the optical parameters are analyzed in detail.

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Authors and Affiliations

  1. Department of Physics, School of Science, Shihezi University, Shihezi, 832003, People’s Republic of China

    Ji-Dong Zhang

  2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, 610065, People’s Republic of China

    Xin-Lu Cheng

  3. College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu, 610066, People’s Republic of China

    De-Hua Li

Authors
  1. Ji-Dong Zhang
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  2. Xin-Lu Cheng
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  3. De-Hua Li
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Correspondence to Ji-Dong Zhang.

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Zhang, JD., Cheng, XL. & Li, DH. The pressure effect on the electronic and optical properties of Re3N: first-principles calculations. J Mater Sci 48, 311–315 (2013). https://doi.org/10.1007/s10853-012-6747-x

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  • DOI: https://doi.org/10.1007/s10853-012-6747-x

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