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35 ta ish

Ish: First principles study on the structural, electronic, mechanical and optical properties of Pb-free double perovskites M2FeMnO6 (M = Rb, Cs)

  1. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Maqola194434 iqtibos
    ABI

  2. Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

    Fabien Tran, Peter Blaha

    Maqola200933 iqtibos
    ABI

  3. Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF<sub>3</sub> (M = Ti, V, Zr, Nb) <i>via</i> DFT studies

    Abdullah Abdullah, Muhammad Sajjad, Umar Ayaz Khan +6

    Maqola202213 iqtibos
    ABI

  4. 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

    Maqola202213 iqtibos
    ABI

  5. Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl<sub>3</sub> (X = Rb, Cs): a first-principles calculations

    Naimat Ullah Khan, Abdullah Abdullah, Umar Ayaz Khan +5

    Maqola202311 iqtibos
    ABI

  6. Theoretical predictions of structure and related properties of intermetallics

    D. G. Pettifor

    Maqola199210 iqtibos
    ABI

  7. First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs<sub>2</sub>XCrCl<sub>6</sub> (X = K, Na)

    Jehan Y. Al‐Humaidi, Abd Ullah, Naimat Ullah Khan +7

    Maqola20239 iqtibos
    ABI

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

    Will Travis, Emily Glover, Hugo Bronstein +2

    Maqola20167 iqtibos
    ABI

  9. 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

    Maqola20217 iqtibos
    ABI

  10. Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX<sub>3</sub> (Cl, Br, I) halide perovskite materials

    Naimat Ullah Khan, Javed Iqbal, Abdullah Abdullah +8

    Maqola20237 iqtibos
    ABI

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

    Muskan Nabi, Dinesh C. Gupta

    Maqola20216 iqtibos
    ABI

  12. Study of mechanical, optical, and thermoelectric characteristics of<scp>Ba<sub>2</sub>XMoO<sub>6</sub></scp>(X = Zn, Cd) double perovskite for energy harvesting

    Samah Al‐Qaisi, H. Rached, Tahani A. Alrebdi +7

    Maqola20234 iqtibos
    ABI

  13. 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

    Maqola20234 iqtibos
    ABI

  14. Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb<sub>2</sub>XMoO<sub>6</sub> (X = Cr, Sc) double perovskites: a DFT + U study

    Abdelazim M. Mebed, Muhammad Mushtaq, Iltaf Muhammad +6

    Maqola20223 iqtibos
    ABI

  15. A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies

    Samah Al‐Qaisi, H. Rached, Malak Azmat Ali +8

    Maqola20233 iqtibos
    ABI

  16. Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications

    Jitendra Kumar Bairwa, Monika Rani, Peeyush Kumar Kamlesh +6

    Maqola20233 iqtibos
    ABI

  17. Systematic investigation of the magneto-electronic structure and optical properties of new halide double perovskites Cs<sub>2</sub>NaMCl<sub>6</sub> (M = Mn, Co and Ni) by spin polarized calculations

    Shabir Ahmad Mir, Dinesh C. Gupta

    Maqola20203 iqtibos
    ABI

  18. First-principles calculations to investigate structural, mechanical, electronic, magnetic and thermoelectric properties of Ba2CaMO6 (M=Re, Os) cubic double perovskites

    Subhendu Das, Manish Debbarma, Debankita Ghosh +4

    Maqola20213 iqtibos
    ABI

  19. Ab initio study of the structural and optoelectronic properties of the half-Heusler CoCr<i>Z</i> (<i>Z</i> = Al, Ga)

    Adda Missoum, T. Seddik, G. Murtaza +6

    Maqola20143 iqtibos
    ABI

  20. <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>-metal doping of the high-temperature superconducting perovskites La-Sr-Cu-O and Y-Ba-Cu-O

    Jean‐Marie Tarascon, L. H. Greene, P. Barboux +6

    Maqola19873 iqtibos
    ABI

  21. A theoretical investigation of the lead‐free double perovskites halides <scp>Rb<sub>2</sub>XCl<sub>6</sub></scp> (X = Se, Ti) for optoelectronic and thermoelectric applications

    Samah Al‐Qaisi, Abdelazim M. Mebed, Muhammad Mushtaq +8

    Maqola20232 iqtibos
    ABI

  22. Structural and mechanical stabilities, electronic, magnetic and thermophysical properties of double perovskite <scp> Ba <sub>2</sub> LaNbO <sub>6</sub> </scp> : Probed by <scp>DFT</scp> computation

    Shabir Ahmad Mir, Dinesh C. Gupta

    Maqola20212 iqtibos
    ABI

  23. First principles study of the structural, elastic, magneto-electronic and thermoelectric properties of double perovskite Ba2ZrFeO6 in ferrimagnetic phase

    M. Caid, Y. Rached, D. Rached +1

    Maqola20232 iqtibos
    ABI

  24. First-principles investigation on electronic structure, magnetic, mechanical and thermodynamic properties of SrPuO<sub>3</sub>perovskite oxide

    Sajad Ahmad Dar, Vipul Srivastava, Umesh Kumar Sakalle +2

    Maqola20182 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI