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Иш: Tailoring the Optoelectronic and Thermoelectric Properties of Lead‐Free Double Perovskites K <sub>2</sub> NaBiZ <sub>6</sub> (Z = Br, I) for Renewable Energy Applications: A First‐Principles Density Functional Theory Investigation

  1. Generalized Gradient Approximation Made Simple

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  2. Special points for Brillouin-zone integrations

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  3. Сарлавҳасиз

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  4. BoltzTraP. A code for calculating band-structure dependent quantities

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  5. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Мақола194434 иқтибос
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  6. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3

    Мақола202418 иқтибос
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  7. Linear optical properties of solids within the full-potential linearized augmented planewave method

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    Мақола200616 иқтибос
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  8. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Мақола196215 иқтибос
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  9. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    Мақола202415 иқтибос
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  10. IRelast package

    M. Jamal, M. Bilal, Iftikhar Ahmad +1

    Мақола201714 иқтибос
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  11. Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2

    Мақола202413 иқтибос
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  12. First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications

    Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor +4

    Мақола202412 иқтибос
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  13. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    МақолаPerovskite Materials and ApplicationsChemical Physics202411 иқтибос
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  14. A DFT Approach to Study the Vacancy Ordered lead free Double Inorganic Perovskites Na2PtX6 (X = Cl, Br) for Sustainable Technologies

    Ammar M. Tighezza, Abrar Nazir, Ejaz Ahmad Khera +3

    Мақола202410 иқтибос
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  15. Screening the structural, optoelectronic and thermoelectric features of novel inverse perovskites X3MgNa (X= Cl, Br and I): A theoretical investigation

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4

    Мақола20249 иқтибос
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  16. Cs<sub>2</sub>AgBiX<sub>6</sub> (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

    Eric T. McClure, Molly R. Ball, Wolfgang Windl +1

    Мақола20169 иқтибос
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  17. Probing the opto-electronic, thermoelectric, thermodynamic and elastic responses of lead-free double perovskite Li2ATlCl6 (A = Na and K) for potential photovoltaic and high- energy applications: A DFT study

    Qiguo Xiao, Abrar Nazir, Ejaz Ahmad Khera +5

    Мақола20249 иқтибос
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  18. The emergence of perovskite solar cells

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  19. A DFT investigation of mechanical, optical and thermoelectric properties of double perovskites K2AgAsX6 (X = Cl, Br) halides

    Maiza Zanib, Muhammad Waqas Iqbal, Mumtaz Manzoor +8

    Мақола20237 иқтибос
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  20. High spin polarization and half-metallic ferromagnetism in novel Half–Heusler FeCrX (X = S, Se and Te) alloys using first-principles calculations

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2

    Мақола20247 иқтибос
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  21. Explored the potential of Rb2SeX6 (X=Cl, Br) double perovskites for energy harvesting devices: A DFT study

    Mumtaz Manzoor, Aparna Dixit, Muhammad Waqas Iqbal +6

    Мақола20246 иқтибос
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  22. Elastic constants versus melting temperature in metals

    M. E. Fine, L.D. Brown, H.L. Marcus

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  23. A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies

    Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor +3

    Мақола20246 иқтибос
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  24. Tailoring the physical, optoelectronic and transport properties of novel lead-free Sodium perovskites Na2TeX6 (X = Cl, Br, I) using DFT computation for photovoltaic and thermal devices

    Mumtaz Manzoor, Mukhtiar Hussain, Muhammad Aslam +4

    Мақола20246 иқтибос
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  25. Full-potential, linearized augmented plane wave programs for crystalline systems

    Peter Blaha, Karlheinz Schwarz, P. Sorantin +1

    Мақола19906 иқтибос
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