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32 ta ish

Ish: Exploring the Multifunctionality of Nd0.5Ba0.5FeO3: A computational study on structural, electronic, magnetic, and optical properties

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    John P. Perdew, Kieron Burke, Matthias Ernzerhof

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  3. From ultrasoft pseudopotentials to the projector augmented-wave method

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  4. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

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  5. Advanced capabilities for materials modelling with Quantum ESPRESSO

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  6. First-principles calculations of structural, electronic, and optical properties for Ni-doped Sb2S3

    Afiq Radzwan, Abdullahi Lawal, A. Shaari +3

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  7. Investigation of structural, electronic and optical properties of potassium and lithium based ternary Selenoindate: Using first principles approach

    Muhammad Salman Khan, Thamraa Alshahrani, Bakhtiar Ul Haq +7

    Maqola20206 iqtibos
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  8. Efficient pseudopotentials for plane-wave calculations

    N. Troullier, José Luı́s Martins

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  9. Accurate and simple analytic representation of the electron-gas correlation energy

    John P. Perdew, Yue Wang

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  10. Investigating optical properties of Cr:GaN system for various Cr concentrations (A DFT + U study)

    M. Junaid Iqbal Khan, Juan Liu, Zarfishan Kanwal +3

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  11. Ab initio calculation of electronic and optical properties of CaNiN nitride and the signature of topological properties

    Y. Ammari, E.K. Hlil

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  12. First principle investigations of the structural, electronic, magnetic, and optical properties of GaN co-doped with carbon and gold (C–Au@GaN)

    Abid Latif, M. Junaid Iqbal Khan, Zarfishan Kanwal +4

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  13. Synthesis, structural and magnetic behavior and theoretical approach to study the magnetic and magnetocaloric properties of the half-doped perovskite Nd0.5Ba0.5CoO3

    Karim Souifi, M. Nasri, Sobhi Hcini +5

    Maqola20215 iqtibos
    ABI

  14. Repercussion of pressure on thermodynamic, optoelectronic, thermoelectric and magneto-elastic rectitude of cubic LaFeO3: Quantum DFT perspective

    Saad Tariq, A. A. Mubarak, Farida Hamioud +4

    Maqola20204 iqtibos
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  15. Investigation studies of structural, electrical, dielectric, and optical of DyTi0.5 Mn0.5O3 multiferroic for optoelectronics applications

    Ghada Raddaoui, Omar Rejaiba, M. Nasri +4

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  16. Hopping conduction mechanism and impedance spectroscopy analyses of the half-doped perovsikte Nd0.5Ba0.5FeO3 prepared by sol–gel method

    Karim Souifi, Omar Rejaiba, M. Nasri +4

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  17. Investigation of the electronic structure in La<sub>1−<i>x</i></sub>Ca<sub><i>x</i></sub>CoO<sub>3</sub>(<i>x</i>= 0, 0.5) using full potential calculations

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  18. Detailed Investigation of Structural, Morphology, Magnetic, Electical and Optical Properties of the Half-Doped PerovsikteNd0.5Ba0.5FeO3

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  19. Structural, electrical and optical investigation of half doped YTi0.5Mn0.5O3 perovskite compounds for optoelectronic devices

    Ghada Raddaoui, Omar Rejaiba, M. Nasri +4

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  20. Effects of Fe substitution by Nb on physical properties of BaFeO3: A DFT+U study

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  21. Insights into structural, electronic, optical properties, and impedance spectroscopy of semi-doped perovskite Nd0.5Ba0.5CoO3: A theoretical and experimental study

    Karim Souifi, Ghada Raddaoui, M. Nasri +5

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  22. Study of critical magnetic behavior around the ferromagnetic–paramagnetic phase transition of the half-doped perovskite Nd0.5Ba0.5CoO3

    Karim Souifi, M. Nasri, Raihane Charguia +6

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  25. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Giannozzi, P, Andreussi, O, Brumme, T +48

    Maqola20172 iqtibos
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