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39 та иш

Иш: DFT and experimental study of structural, optical and thermodynamic properties of perovskite SmAsO3 for optoelectronic applications

  1. A fast and robust algorithm for Bader decomposition of charge density

    Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

    Мақола200512 иқтибос
    ABI

  2. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties

    Jorge M. del Campo, José L. Gázquez, S. B. Trickey +1

    Мақола20127 иқтибос
    ABI

  3. Structural investigation and improvement of microwave dielectric properties in Ca(HfxTi1-x)O3 ceramics

    Abid Zaman, Sarir Uddin, Nasir Mehboob +1

    Мақола20206 иқтибос
    ABI

  4. Structural, optical, electrical and dielectric properties of (Sr1-xMgx)(Sn0.5Ti0.5)O3 (X=0.00, 0.25, 0.50, 0.75) ceramics via solid state route

    Mujahid Abbas, Rafi Ullah, Kamran Ullah +8

    Мақола20215 иқтибос
    ABI

  5. Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

    Amina, Naseem Akhter, Salhah Hamed Alrefaee +9

    МақолаPerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 иқтибос
    ABI

  6. DFT study of double perovskites Cs2AgBiX6 (X = Cl, Br): An alternative of hybrid perovskites

    Nouf H. Alotaibi, Ghulam Mustafa, Nessrin A. Kattan +7

    Мақола20223 иқтибос
    ABI

  7. An extensive study of structural, electronic, optical, mechanical, and thermodynamic properties of inorganic oxide perovskite materials ScXO3 (X = Ga, In) for optoelectronic applications: A DFT study

    Muhammad Usman Ghani, Muhammad Junaid, Khalid Mujasam Batoo +2

    Мақола20243 иқтибос
    ABI

  8. Insight into Structural, Electronic, Elastic and Optical Properties of Thallium Based Perovskite TlXBr3 (X = Ti, Zr) via DFT Study for Reflective Coating

    A.M. Quraishi, Amina, Sajid Khan +10

    МақолаPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20242 иқтибос
    ABI

  9. Modeling of structural, elastic, mechanical, acoustical, electronic and thermodynamic properties of XPdF <sub>3</sub> (X = Rb, Tl) perovskites through density functional theory

    Malak Azmat Ali, Rehan Ullah, Sajad Ahmad Dar +3

    Мақола20202 иқтибос
    ABI

  10. Inspecting the structural stability, magneto-opto-electronic, and transport characteristics of half-metallic ferromagnets double perovskite oxide (Sr2MoSbO6): A DFT study

    Nazia Iram, Dalia Fouad, Ramesh Sharma +1

    Мақола20242 иқтибос
    ABI

  11. DFT study of SmXO<sub>3</sub> (X = Al and Co) for elastic, mechanical and optical properties

    A. Afaq, Abu Bakar, Sajid Anwar +2

    Мақола20182 иқтибос
    ABI

  12. Predictions on new Cu-based ABO3 (A=Cu and B=Lu, Y) oxide-perovskite for energy storage and optoelectronic applications: A DFT study

    Nazia Bibi, Muhammad Usman, Shahzadi Noreen

    Мақола20242 иқтибос
    ABI

  13. RETRACTED: Density functional theory to decrypt metal-organic framework-A review

    Shinta Davis, E. Athira, Vijisha K. Rajan

    Мақола20242 иқтибос
    ABI

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

    Tasawer Shahzad Ahmad, Nimra Ehsan, S. M. Sohail Gilani +9

    МақолаPerovskite Materials and ApplicationsMaterials Chemistry and Physics20251 иқтибос
    ABI

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