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Ish: A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications

  1. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

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

    Georg K. H. Madsen, David J. Singh

    MaqolaOchiq kirish200642 iqtibos
    ABI

  3. 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

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

    Claudia Draxl, Jorge O. Sofo

    MaqolaOchiq kirish200618 iqtibos
    ABI

  5. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Maqola196218 iqtibos
    ABI

  6. New tolerance factor to predict the stability of perovskite oxides and halides

    Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4

    MaqolaOchiq kirish201918 iqtibos
    ABI

  7. Self-interaction correction to density-functional approximations for many-electron systems

    John P. Perdew, Alex Zunger

    MaqolaOchiq kirish198117 iqtibos
    ABI

  8. IRelast package

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

    Maqola201717 iqtibos
    ABI

  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

    MaqolaOchiq kirish202416 iqtibos
    ABI

  10. 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

  11. Theoretical Engineering of Structural, Electronic, and Optical Characteristics of Double Perovskite Sr2XWO6 (X = Co, Zn) for Optical Devices

    Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum +3

    Maqola202413 iqtibos
    ABI

  12. 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

  13. 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

  14. Sarlavhasiz

    Boshqa10 iqtibos
    ABI

  15. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    MaqolaAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20249 iqtibos
    ABI

  16. 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

  17. Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications

    Abrar Nazir, Arti Saxena, Ejaz Ahmad Khera +5

    MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20257 iqtibos
    ABI

  18. Analysis of direct band gap A2ScInI6 (A=Rb, Cs) double perovskite halides using DFT approach for renewable energy devices

    N.A. Noor, Muhammad Waqas Iqbal, Taharh Zelai +4

    MaqolaOchiq kirish20217 iqtibos
    ABI

  19. Vibrational and transport phenomenon in Cs2CdZnCl6 double perovskite: A DFT study

    Nazia Erum, Ramesh Sharma, Hamid Ullah +3

    Maqola20237 iqtibos
    ABI

  20. 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

  21. Screening the Structural, Tuning Band Gaps, Optical and Thermal Properties of Inorganic A2AgRhF6 (A = Na, Rb) Double Perovskites Halide Using DFT Calculations

    Muhammad Mahadi Abdul Jamil, Aparna Dixit, Junaid Munir +5

    Maqola20246 iqtibos
    ABI

  22. Nonmetallic crystals with high thermal conductivity

    Glen A. Slack

    Maqola19736 iqtibos
    ABI

  23. 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

    Maqola20246 iqtibos
    ABI

  24. Tuning optoelectronic and thermoelectric attributes of Na2GeX6 (X = Br, Cl) halide double perovskites for high-efficiency solar cells applications

    Anjali Kumari, Aparna Dixit, Jisha Annie Abraham +6

    Maqola20246 iqtibos
    ABI

  25. Merits and limits of the modified Becke-Johnson exchange potential

    Dávid Koller, Fabien Tran, Peter Blaha

    Maqola20116 iqtibos
    ABI