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Ish: 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

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996196 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

  3. Sarlavhasiz

    Boshqa52 iqtibos
    ABI

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

    Georg K. H. Madsen, David J. Singh

    MaqolaOchiq kirish200642 iqtibos
    ABI

  5. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    MaqolaOchiq kirish194440 iqtibos
    ABI

  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

    Maqola202419 iqtibos
    ABI

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

    Claudia Draxl, Jorge O. Sofo

    MaqolaOchiq kirish200618 iqtibos
    ABI

  8. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Maqola196218 iqtibos
    ABI

  9. IRelast package

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

    Maqola201717 iqtibos
    ABI

  10. 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

    MaqolaOchiq kirish202416 iqtibos
    ABI

  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

    Maqola202414 iqtibos
    ABI

  12. 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

    MaqolaPerovskite Materials and ApplicationsChemical Physics202413 iqtibos
    ABI

  13. 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

    Maqola202413 iqtibos
    ABI

  14. The emergence of perovskite solar cells

    Martin A. Green, Anita Ho‐Baillie, Henry J. Snaith

    Maqola201413 iqtibos
    ABI

  15. 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

    Maqola202412 iqtibos
    ABI

  16. 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

    Maqola202411 iqtibos
    ABI

  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

    Maqola202411 iqtibos
    ABI

  18. 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

    Maqola20169 iqtibos
    ABI

  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

    Maqola20239 iqtibos
    ABI

  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

    Maqola20248 iqtibos
    ABI

  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

    Maqola20247 iqtibos
    ABI

  22. Elastic constants versus melting temperature in metals

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

    Maqola19847 iqtibos
    ABI

  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

    Maqola20247 iqtibos
    ABI

  24. Full-potential, linearized augmented plane wave programs for crystalline systems

    Peter Blaha, Karlheinz Schwarz, P. Sorantin +1

    Maqola19907 iqtibos
    ABI

  25. Nanocrystals of Cesium Lead Halide Perovskites (CsPbX<sub>3</sub>, X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut

    Loredana Proteşescu, Sergii Yakunin, Maryna I. Bodnarchuk +6

    MaqolaOchiq kirish20156 iqtibos
    ABI