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RESEARCH PAPER · Journal of Nonlinear Optical Physics & Materials · 2024

Nonlinear optical, dielectric, and piezoelectric properties of hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd, Pb) from first principles

Yu. N. Zhuravlev, Victor V. Atuchin∥⊥

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Nonlinear optical, dielectric, and piezoelectric properties of hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd, Pb) from first principlesOriginalStructure–property relationship of an organic crystal (E)-3-(4-(dimethylamino)phenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one through linear, nonlinear optical, molecular docking, and DFT investigations for optoelectronic applications4First-principle DFT-based study of novel K3SeI anti-perovskite for advanced photovoltaic and photocatalytic applications with SCAPS-1D solar cell modeling7Ab-initio exploration to investigate the structural, mechanical, electronic, thermal and optical properties of new lead-free perovskites Rb2LiSbX6 (X = F, Cl, Br, I) for industrial applications1

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  1. Structure–property relationship of an organic crystal (E)-3-(4-(dimethylamino)phenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one through linear, nonlinear optical, molecular docking, and DFT investigations for optoelectronic applications

    Journal of Materials Science Materials in Electronics · 2025-03-01

    D. Sateesha, Sampath Chinnam, Guddekoppa S. Ananthnag, T. Chandra Shekhara Shetty, Itte Pushpavathi, G. Vinitha, S. Raghavendra

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  2. First-principle DFT-based study of novel K3SeI anti-perovskite for advanced photovoltaic and photocatalytic applications with SCAPS-1D solar cell modeling

    Journal of Alloys and Compounds · 2026-02-24

    Md. Earshad Ali, Karim Kriaa, Md. Nobiul Islam, Chemseddine Maatki, Md. Shizer Rahman, Noureddine Elboughdiri, Md. Azizur Rahman

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  3. Ab-initio exploration to investigate the structural, mechanical, electronic, thermal and optical properties of new lead-free perovskites Rb2LiSbX6 (X = F, Cl, Br, I) for industrial applications

    Optical and Quantum Electronics · 2026-06-22

    M Rafiqul Islam, Ahmad Irfan, Md. Atikur Rahman, Antor Saha, Mst. Asma Khatun, M Mahamat Ali

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