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62 ta ish

Ish: Study of structural, electronic, mechanical, optical and thermoelectric properties of As based halide-perovskites Ba3AsX3 (X= F, Cl): A first-principles insights

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

  2. Sarlavhasiz

    Boshqa39 iqtibos
    ABI

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

    Fabien Tran, Peter Blaha

    Maqola200933 iqtibos
    ABI

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

    Claudia Draxl, Jorge O. Sofo

    Maqola200616 iqtibos
    ABI

  5. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Maqola201512 iqtibos
    ABI

  6. Efficient linearization of the augmented plane-wave method

    Georg K. H. Madsen, Peter Blaha, Karlheinz Schwarz +2

    Maqola200110 iqtibos
    ABI

  7. Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties

    Constantinos C. Stoumpos, Christos D. Malliakas, Mercouri G. Kanatzidis

    Maqola20139 iqtibos
    ABI

  8. 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

  9. <i>Ab initio</i> investigation of structural, electronic, magnetic, elastic, and optical properties of Cs-based chloro-perovskites CsXCl3 (X = Be and Rh)

    Umar Ayaz, Shazia, Abdullah Abdullah +3

    Maqola20217 iqtibos
    ABI

  10. Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

    Ali Algahtani, Amina, Fida Rehman +8

    MaqolaPerovskite Materials and ApplicationsInorganic Chemistry Communications20246 iqtibos
    ABI

  11. First-principles calculations to investigate structural, electronic, elastic, optical and transport properties of halide double perovskites Cs2ABF6 (AB = BiAu, AgIr, CuBi, GaAu, InAs, InAg, InAu, InSb and InBi) for solar cells and renewable energy applications

    Saadi Berri

    Maqola20236 iqtibos
    ABI

  12. First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF<sub>3</sub> (X = Ru, Os)

    Jehan Y. Al‐Humaidi, Javed Iqbal, Abdullah Abdullah +9

    MaqolaPerovskite Materials and ApplicationsACS Omega20235 iqtibos
    ABI

  13. Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X = Ir, Rh): A first-principles study

    Ali Algahtani, Naimat Ullah Khan, Abdullah Abdullah +8

    MaqolaHeusler alloys: electronic and magnetic propertiesInorganic Chemistry Communications20235 iqtibos
    ABI

  14. 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

  15. A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications

    Abderrazak Boutramine, Samah Al‐Qaisi, Malak Azmat Ali +7

    Maqola20244 iqtibos
    ABI

  16. Electronic Structural, Optical and Elastic Properties of K-Based Lead-Free Perovskites KXF3 (X = Nb, Ti, Zr) via DFT Computational Approach

    Jehan Y. Al‐Humaidi, Abdullah Abdullah, Amina +7

    MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20234 iqtibos
    ABI

  17. First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6

    Samah Al‐Qaisi, Muhammad Mushtaq, Jamila S. Alzahrani +7

    Maqola20224 iqtibos
    ABI

  18. The study optical, thermoelectric, and thermodynamic properties of double perovskites K2CuBiX6 (X = Cl, Br, I) for energy harvesting

    Hind Albalawi, Syed Awais Rouf, Taharh Zelai +5

    Maqola20233 iqtibos
    ABI

  19. Structural, Electronic, Elastic, and Optical Properties of Cubic BaLiX&lt;sub&gt;3&lt;/sub&gt; (X = F, Cl, Br, or I) Perovskites: An &lt;i&gt;Ab-initio&lt;/i&gt; DFT Study

    Redi Kristian Pingak, Soukaina Bouhmaidi, Larbi Setti +5

    Maqola20233 iqtibos
    ABI

  20. Multi-functional lead-free Ba2XSbO6 (X = Al, Ga) double perovskites with direct bandgaps for photocatalytic and thermoelectric applications: A first principles study

    Mosayeb Naseri, Dennis R. Salahub, Shirin Amirian +4

    Maqola20233 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  22. Sensitive X-ray detectors made of methylammonium lead tribromide perovskite single crystals

    Haotong Wei, Yanjun Fang, Padhraic Mulligan +8

    Maqola20163 iqtibos
    ABI

  23. DFT study of electronic, optical, and elastic properties of double perovskites Rb<sub>2</sub>YAgX<sub>6</sub> (X = Br, I) compounds for opto-electronic device applications

    Mumtaz Manzoor, N.A. Noor, Muhammad Waqas Iqbal +3

    Maqola20223 iqtibos
    ABI

  24. First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of <scp>XGeCl<sub>3</sub></scp> (<scp>X = Rb/Cs</scp>): Promising compounds for green energy application

    Debidatta Behera, M. Boudjelal, M. Batouche +3

    Maqola20243 iqtibos
    ABI

  25. Opto‐electronic and thermophysical characteristics of <scp>A<sub>2</sub>TlAgF<sub>6</sub></scp> (A = Rb, Cs) for green technology applications

    Samah Al‐Qaisi, Nazia Iram, Saidi Samah +7

    Maqola20243 iqtibos
    ABI