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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

    Maqola1996196 iqtibos
    ABI

  2. Sarlavhasiz

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

    Fabien Tran, Peter Blaha

    Maqola200935 iqtibos
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  4. Linear optical properties of solids within the full-potential linearized augmented planewave method

    Claudia Draxl, Jorge O. Sofo

    MaqolaOchiq kirish200618 iqtibos
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  5. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    MaqolaOchiq kirish201515 iqtibos
    ABI

  6. Efficient linearization of the augmented plane-wave method

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

    Maqola200111 iqtibos
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  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

    Maqola201310 iqtibos
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  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

    MaqolaOchiq kirish20239 iqtibos
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  9. 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 Communications20247 iqtibos
    ABI

  10. <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

    MaqolaOchiq kirish20217 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
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  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

    MaqolaOchiq kirishPerovskite 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. 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

    Maqola20225 iqtibos
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  15. 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

    MaqolaOchiq kirish20234 iqtibos
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  16. A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications

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

    Maqola20244 iqtibos
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  17. 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
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  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
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  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

    MaqolaOchiq kirish20233 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
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  21. Sarlavhasiz

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

    Haotong Wei, Yanjun Fang, Padhraic Mulligan +8

    MaqolaOchiq kirish20163 iqtibos
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  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

    MaqolaOchiq kirish20223 iqtibos
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  24. First Principle Study on Structural, Thermoelectric, and Magnetic Properties of Cubic CdCrO3 Perovskites: A Comprehensive Analysis

    S. Satapathy, Mohammed Batouche, T. Seddik +2

    MaqolaOchiq kirish20233 iqtibos
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  25. 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

    MaqolaOchiq kirish20243 iqtibos
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