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Работы, на которые ссылается эта работа

Работ: 77

Работа: Ab-initio insights into narrow bandgap Li₂MIrCl₆ (M = Cu, Ag) double perovskite halides for next-generation optoelectronic and energy devices

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 183
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Статья1976Цитирований: 71
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Статья1965Цитирований: 52
    ABI

  4. Без названия

    ДругоеЦитирований: 48
    ABI

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

    Georg K. H. Madsen, David J. Singh

    Статья2006Цитирований: 42
    ABI

  6. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Статья1944Цитирований: 39
    ABI

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

    Claudia Draxl, Jorge O. Sofo

    Статья2006Цитирований: 18
    ABI

  8. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Статья1962Цитирований: 18
    ABI

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

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

    Статья2019Цитирований: 18
    ABI

  10. Finite Elastic Strain of Cubic Crystals

    Francis Birch

    Статья1947Цитирований: 15
    ABI

  11. 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

    СтатьяPerovskite Materials and ApplicationsChemical Physics2024Цитирований: 13
    ABI

  12. 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

    Статья2024Цитирований: 13
    ABI

  13. 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

    Статья2024Цитирований: 12
    ABI

  14. 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

    Статья2024Цитирований: 11
    ABI

  15. 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

    Статья2024Цитирований: 11
    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

    Статья2023Цитирований: 9
    ABI

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

    Nazia Erum, Ramesh Sharma, Hamid Ullah +3

    Статья2023Цитирований: 7
    ABI

  18. 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

    Статья2024Цитирований: 7
    ABI

  19. 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

    Статья2024Цитирований: 7
    ABI

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

    Peter Blaha, Karlheinz Schwarz, P. Sorantin +1

    Статья1990Цитирований: 7
    ABI

  21. Probing the physical properties of M<sub>2</sub>LiCeF<sub>6</sub> (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework

    Nasir Rahman, Abdur Rauf, Mudasser Husain +9

    Статья2023Цитирований: 6
    ABI

  22. Exploring the physical properties of novel double perovskites A2InAsO6 (A=Sr, Ba) for renewable energy applications: Ab-initio calculations

    Anjali Kumari, Jisha Annie Abraham, Mumtaz Manzoor +4

    Статья2024Цитирований: 6
    ABI

  23. Nonmetallic crystals with high thermal conductivity

    Glen A. Slack

    Статья1973Цитирований: 6
    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

    Статья2024Цитирований: 6
    ABI

  25. The Role of Goldschmidt’s Tolerance Factor in the Formation of A<sub>2</sub>BX<sub>6</sub> Double Halide Perovskites and its Optimal Range

    Alexander E. Fedorovskiy, Nikita Drigo, Mohammad Khaja Nazeeruddin

    Статья2019Цитирований: 5
    ABI