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Работы, на которые ссылается эта работа

Работ: 57

Работа: Structural, electronic, mechanical, optical and thermoelectric properties of double perovskites A2CuAlCl6 (A=Cs, Rb, K) with direct bandgap using DFT study

  1. IRelast package

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

    Статья2017Цитирований: 14
    ABI

  2. BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

    Georg K. H. Madsen, Jesús Carrete, Matthieu J. Verstraete

    Статья2018Цитирований: 14
    ABI

  3. Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF<sub>3</sub> (M = Rb and Cs) via Density Functional Theory Computation

    Abdullah Abdullah, Umar Ayaz Khan, Sajid Khan +8

    Статья2022Цитирований: 13
    ABI

  4. Insight into structural, electronic, optical and elastic properties of double perovskites Rb2XCrCl6 (X= K, Na) via DFT study

    Abdullah Abdullah, Naimat Ullah Khan, Umar Ayaz Khan +8

    Статья2023Цитирований: 8
    ABI

  5. On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system

    Will Travis, Emily Glover, Hugo Bronstein +2

    Статья2016Цитирований: 7
    ABI

  6. Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology

    Muskan Nabi, Dinesh C. Gupta

    Статья2021Цитирований: 6
    ABI

  7. 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: 6
    ABI

  8. Improving the modified Becke-Johnson exchange potential

    Dávid Koller, Fabien Tran, Peter Blaha

    Статья2012Цитирований: 5
    ABI

  9. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I)

    Muhammad Saeed, Izaz Ul Haq, Awais Siddique Saleemi +4

    Статья2021Цитирований: 4
    ABI

  10. Wireless Multiferroic Memristor with Coupled Giant Impedance and Artificial Synapse Application

    Yao Wang, Rui Xiao, Ning Xiao +4

    Статья2022Цитирований: 4
    ABI

  11. WIEN2k: An APW+lo program for calculating the properties of solids

    Peter Blaha, Karlheinz Schwarz, Fabien Tran +3

    Статья2020Цитирований: 4
    ABI

  12. First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd3B4O12 (B = Ti, V) perovskites

    Mirza H. K. Rubel, Md.A. Hossain, M. Khalid Hossain +7

    Статья2022Цитирований: 4
    ABI

  13. Chalcogens’ impurities and a single F-center in perovskite SrHfO3 compound: Ab initio calculations

    S. Dahbi, N. Tahiri, O. El Bounagui +1

    Статья2021Цитирований: 4
    ABI

  14. Exploring structural, thermodynamic, elastic, electro-optic, and thermoelectric characteristics of double perovskites Rb2XInBr6 (X = Na, K) for photovoltaic applications: A DFT approach

    Ahmad Ayyaz, G. Murtaza, Maleeha Shafiq +3

    Статья2023Цитирований: 4
    ABI

  15. Bismuth-based halide double perovskite Cs2KBiCl6: Disorder and luminescence

    Mingwei Chen, Yanming Sun, Alberto J. Fernández‐Carrión +6

    Статья2023Цитирований: 3
    ABI

  16. How the strain effects decreases the band gap energy in the CsPbX<sub>3</sub> perovskite compounds?

    Houssain Zitouni, N. Tahiri, O. El Bounagui +1

    Статья2020Цитирований: 3
    ABI

  17. Design Insights into La<sub>2</sub>NiMnO<sub>6</sub>-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

    M. Khalid Hossain, A. A. Arnab, Dip Prakash Samajdar +11

    Статья2023Цитирований: 3
    ABI

  18. DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

    Shakeel Shakeel, Peng Song, Syed Hatim Shah +5

    Статья2024Цитирований: 3
    ABI

  19. Elastic anisotropy of crystals

    Christopher M. Kube

    Статья2016Цитирований: 3
    ABI

  20. Lead-free Cs2InAsX6 (X = Cl, Br) halide double perovskites: A DFT perspective on their potential for sustainable energy applications

    Muhammad Zafarullah Kazim, Naveed Raza, Shatha A. Aldaghfag +5

    Статья2024Цитирований: 3
    ABI

  21. Effects of oxygen group elements on thermodynamic stability, electronic structures and optical properties of the pure and pressed BaTiO3 perovskite

    S. Dahbi, N. Tahiri, O. El Bounagui +1

    Статья2022Цитирований: 3
    ABI

  22. Tailoring the structural, elastic, electronic, and optical properties of Cs2ScCuX6 (X = Cl and F) double perovskite compounds via density functional theory (DFT)

    Gohar Ayub, Nasir Rahman, Mudasser Husain +6

    Статья2024Цитирований: 3
    ABI

  23. Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO<sub>3</sub> (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights

    M. M. Rahaman, Khandaker Monower Hossain, Mirza H. K. Rubel +2

    Статья2022Цитирований: 2
    ABI

  24. Investigation of heavy thallium perovskites TlGeX (X = Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

    Soukaina Bouhmaidi, Md Borhan Uddin, Redi Kristian Pingak +4

    Статья2023Цитирований: 2
    ABI

  25. An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs<sub>2</sub>AgBiBr<sub>6</sub> Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

    Md. Shihab Uddin, M. Khalid Hossain, Md Borhan Uddin +7

    Статья2024Цитирований: 2
    ABI