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RESEARCH PAPER · Physica Scripta · 2024

Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approach

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Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approachOriginalOptimizing radiation shielding competence of AB2(PO3)5 [A = K, Rb, Cs; B = Pb, Ba] polyphosphates: Hirshfeld geometries tuning0DFT investigation of elastic anisotropy and piezoelectric response of trigonal borophosphates ABPO5 (A=Ca, Sr, Pb, Ba) under hydrostatic pressure1First-principles study of structural, electronic and nonlinear optical properties under pressure for trigonal borophosphatesABPO5 (A=Ca, Sr, Pb, Ba)1

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  1. Optimizing radiation shielding competence of AB2(PO3)5 [A = K, Rb, Cs; B = Pb, Ba] polyphosphates: Hirshfeld geometries tuning

    Optical and Quantum Electronics · 2025-03-10

    Ziad Y. Khattari, Yu. N. Zhuravlev

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  2. DFT investigation of elastic anisotropy and piezoelectric response of trigonal borophosphates ABPO5 (A=Ca, Sr, Pb, Ba) under hydrostatic pressure

    Journal of Physics and Chemistry of Solids · 2025-07-29

    Yu. N. Zhuravlev, Ziad Y. Khattari

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  3. First-principles study of structural, electronic and nonlinear optical properties under pressure for trigonal borophosphatesABPO5 (A=Ca, Sr, Pb, Ba)

    Physica B Condensed Matter · 2025-08-27

    Yu. N. Zhuravlev, Ziad Y. Khattari

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