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DFT study of \({{Ru}_{2}FeZ (Z=Si, Ge, Sn)}\) for opto-electronic response calculations

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Abstract

The opto-electronic properties of \(\rm {Ru}_{2}FeZ (Z=Si, Ge, Sn)\) full Heusler alloys are explored by using first-principles calculations. The wien2k package with Full potential-linearized augmented plane wave (FP + LAPW) method is used and the exchange–correlation functional is dealt within the framework of Generalized Gradient Approximation amended by Perdew–Burke–Ernzerhof. Electronic band structure and density of states in both spin channels show the overlapping of some valence and conduction bands, which confirms their metallic nature. Optical properties over a wide range of incident photon energy revealed their effectiveness in photo sensors.

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Authors and Affiliations

  1. Department of Physics, School of Science, University of Management and Technology, Lahore, 54770, Pakistan

    Asim Nisar Sheikh & M. Imran Jamil

  2. Centre of Excellence in Solid State Physics, University of the Punjab, Lahore, 54590, Pakistan

    A. Afaq & Abu Bakar

Authors
  1. Asim Nisar Sheikh
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  2. M. Imran Jamil
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  3. A. Afaq
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  4. Abu Bakar
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Correspondence to Asim Nisar Sheikh or Abu Bakar.

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All the other authors have read the manuscript “DFT Study of \({Ru}_{2}FeZ (Z=Si, Ge, Sn)\) for Opto-electronic Response Calculations” and are agreed to submit it in its current form for consideration for publication in your Journal, and there is no conflict of interests. The manuscript has not been published in any journal and has not been submitted to any journal simultaneously.

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Sheikh, A.N., Jamil, M.I., Afaq, A. et al. DFT study of \({{Ru}_{2}FeZ (Z=Si, Ge, Sn)}\) for opto-electronic response calculations. MRS Communications 13, 1180–1186 (2023). https://doi.org/10.1557/s43579-023-00426-2

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