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80 ta ish

Ish: Elucidating the multifunctional properties of double perovskite hydrides X2MnTlH6 (X = Na, K): A DFT study of half-metallicity, magnetism, hydrogen storage, and optical properties

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

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

    Maqola20223 iqtibos
    ABI

  2. Dynamical Theory Of Crystal Lattices

    Max Born, Kun Huang

    Kitob19963 iqtibos
    ABI

  3. Study of double perovskite materials RbX2Y3O10 (X Mg, Ca, Y Ti, Zr) for photocatalytic applications: A DFT insights

    Shoukat Hussain, Jalil Ur Rehman, Abid Hussain +2

    Maqola20243 iqtibos
    ABI

  4. Theoretical investigation of XSnH3 (X: Rb, Cs, and Fr) perovskite hydrides for hydrogen storage application

    M. Kashif Masood, Wahidullah Khan, Khawla Chaoui +5

    Maqola20243 iqtibos
    ABI

  5. Computational insights of double perovskite X2CaCdH6 (X = Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis

    Waqar Azeem, Shoukat Hussain, Muhammad Khuram Shahzad +7

    Maqola20243 iqtibos
    ABI

  6. Investigating structural, optoelectronic, and mechanical properties of novel Tungsten-based oxides double-perovskites compounds Sr2XWO6 (X= Mn, Fe): A DFT approach

    Mudasser Husain, Nasir Rahman, Ahmed Azzouz‐Rached +11

    Maqola20243 iqtibos
    ABI

  7. An ab-initio study of the physical properties of Ge-based perovskites (XGeH3: X=Mg, Ca, and Sr) for potential hydrogen storage application

    M. Kashif Masood, Ghulam Murtaza, Nadia Ahmad +6

    Maqola20243 iqtibos
    ABI

  8. Optical properties of quaternary GaMnAsP thin layer grown by molecular beam epitaxy

    W. Ouerghui, M. Gassoumi, Lotfi Béji +1

    Maqola20212 iqtibos
    ABI

  9. First-principles calculations to investigate the physical properties of lead-free double perovskites Cs2AgXCl6 (X=P, Co, As, Cd) for optoelectronic applications

    Abeer Mera, Muhammad Awais Rehman, Zia Ur Rehman

    Maqola20232 iqtibos
    ABI

  10. Efficient mixed-force first-principles molecular dynamics

    Eduardo Anglada, Javier Junquera, José M. Soler

    Maqola20032 iqtibos
    ABI

  11. Intergrain tunneling magnetoresistance in polycrystals of the ordered double perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeReO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

    K. Kobayashi, Takeshi Kimura, Y. Tomioka +3

    Maqola19992 iqtibos
    ABI

  12. Structural and doping effects in the half-metallic double perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>A</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CrWO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mi>A</mml:mi><mml:mo>=</mml:mo></mml:math>Sr, Ba, and Ca)

    J. B. Philipp, Peter Majewski, Lambert Alff +9

    Maqola20032 iqtibos
    ABI

  13. Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications

    M. Roknuzzaman, Chunmei Zhang, Kostya Ostrikov +4

    Maqola20192 iqtibos
    ABI

  14. Structural, electronic, mechanical and dynamical stability properties of LiAH3 (A = Sc, Ti &amp; V) perovskite-type hydrides: A first principle study

    Areeba Siddique, Adnan Khalil, Badriah S. Almutairi +6

    Maqola20232 iqtibos
    ABI

  15. First-principles investigations for the hydrogen storage properties of XVH3 (X=Na, K, Rb, Cs) perovskite type hydrides

    Nanlin Xu, Yan Chen, Shanjun Chen +4

    Maqola20232 iqtibos
    ABI

  16. Lead-Free Double Perovskites: A Review of the Structural, Optoelectronic, Mechanical, and Thermoelectric Properties Derived from First-Principles Calculations, and Materials Design Applicable for Pedagogical Purposes

    David O. Obada, Shittu B. Akinpelu, Simeon A. Abolade +4

    Sharh maqola20242 iqtibos
    ABI

  17. First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X=K, Rb, Cs) for hydrogen storage

    Muhammad Umer, G. Murtaza, Nazir Ahmad +5

    Maqola20242 iqtibos
    ABI

  18. First-principles study of the hydrogen storage properties of hydride perovskites XCuH3 (X = K, Rb) for hydrogen storage applications

    Yifei Du, Nanlin Xu, Shanjun Chen +4

    Maqola20242 iqtibos
    ABI

  19. Hydrogen storage and optoelectronic properties of new Ca2H4 metal hydride using density functional theory calculations

    Y. Selmani, A. Jabar, S. Benyoussef +1

    Maqola20252 iqtibos
    ABI

  20. Structural, Electronic and Optical Properties of Altermagnet Bulk <scp>MnBr<sub>2</sub></scp>

    Ghaferah H. Al‐Hazmi, Abid Zaman, Naseem Akhter +7

    MaqolaHeusler alloys: electronic and magnetic propertiesInternational Journal of Quantum Chemistry20252 iqtibos
    ABI

  21. High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

    Amnah Mohammed Alsuhaibani, Amina, Fida Rehman +10

    MaqolaPerovskite Materials and ApplicationsRadiation Physics and Chemistry20241 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI