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53 ta ish

Ish: Optoelectronic and thermoelectric analysis of halide stable double perovskite Rb2TlSbX6 (X = Cl, Br, I) via DFT calculations

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

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

    Fabien Tran, Peter Blaha

    Maqola200933 iqtibos
    ABI

  3. BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

    Georg K. H. Madsen, Jesús Carrete, Matthieu J. Verstraete

    Maqola201814 iqtibos
    ABI

  4. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Maqola201512 iqtibos
    ABI

  5. Cs<sub>2</sub>AgBiX<sub>6</sub> (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

    Eric T. McClure, Molly R. Ball, Wolfgang Windl +1

    Maqola20169 iqtibos
    ABI

  6. 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

  7. Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba<sub>2</sub>InTaO<sub>6</sub>

    Sajad Ahmad Dar, Ramesh Sharma, Vipul Srivastava +1

    Maqola20197 iqtibos
    ABI

  8. 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

  9. Cs<sub>2</sub>NaGaBr<sub>6</sub>: a new lead-free and direct band gap halide double perovskite

    Y. Saeed, B. Amin, Haleema Khalil +5

    Maqola20206 iqtibos
    ABI

  10. 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

  11. WIEN2k: An APW+lo program for calculating the properties of solids

    Peter Blaha, Karlheinz Schwarz, Fabien Tran +3

    Maqola20204 iqtibos
    ABI

  12. Thermoelectric properties of A2BCl6: A first principles study

    Saadi Berri

    Maqola20224 iqtibos
    ABI

  13. First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites

    Ahmad Ayyaz, G. Murtaza, Ahmad Usman +3

    Maqola20234 iqtibos
    ABI

  14. 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

  15. Electronic Structure, Optical and Transport Properties of Double Perovskite La2NbMnO6: A Theoretical Understanding from DFT Calculations

    Khursheed Ahmad Parrey, Shakeel Ahmad Khandy, Ishtihadah Islam +7

    Maqola20183 iqtibos
    ABI

  16. Introduction to Solid State Physics

    Amnon Aharony, O. Entin‐Wohlman

    Kitob20183 iqtibos
    ABI

  17. Half-metallic and thermoelectric properties of Sr2EuReO6

    Saadi Berri

    Maqola20213 iqtibos
    ABI

  18. First principle analysis of structural, electronic, optical, and thermoelectric characteristics of Ba3CaTa2O9 complex perovskite

    Saadi Berri

    Maqola20223 iqtibos
    ABI

  19. Theoretical investigation of physical properties of <scp> Sr <sub>2</sub> XNbO <sub>6</sub> </scp> (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications

    Anam Hanif, Shatha A. Aldaghfag, Asima Aziz +2

    Maqola20223 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. 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

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

    Shereen M. Al‐Shomar, Kakul Husain, Aryan Dilawar Khan +8

    MaqolaHeusler alloys: electronic and magnetic propertiesInorganic Chemistry Communications20243 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  24. A first-principle study of the electronic, mechanical and optical properties of inorganic perovskite Cs2SnI6 for intermediate-band solar cells

    Murugesan Rasukkannu, Dhayalan Velauthapillai, Ponniah Vajeeston

    Maqola20182 iqtibos
    ABI

  25. Electronic, phonon transport and thermoelectric properties of Cs2InAgCl6 from first-principles study

    Enamul Haque, Md.A. Hossain

    Maqola20192 iqtibos
    ABI