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Ish: Halogen-engineered bandgap modulation in lead-free Li2TlGaZ6 (Z = Cl, I) double perovskites for advanced optoelectronics: A first-principles study

  1. The electronic, magnetic and optical properties of double perovskite A2FeReO6 (A = Sr, Ba) from first principles approach

    Dibya Prakash Rai, A. Shankar, Madhav Prasad Ghimire +2

    Maqola20154 iqtibos
    ABI

  2. Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

    George Volonakis, Marina R. Filip, Amir A. Haghighirad +4

    Maqola20164 iqtibos
    ABI

  3. Electronic structure calculations of solids using the WIEN2k package for material sciences

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

    Maqola20024 iqtibos
    ABI

  4. Ab-initio investigation of novel lead-free halide based Rb2CsXI6 (X = Ga, In) double perovskites: Mechanical, structural, thermoelectric, and optoelectronic potential for photovoltaics and green energy applications

    Anjali Kumari, Jisha Annie Abraham, C. Sreelekshmi +6

    Maqola20244 iqtibos
    ABI

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    Boshqa3 iqtibos
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  9. Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications

    M. Roknuzzaman, Chunmei Zhang, Kostya Ostrikov +4

    Maqola20193 iqtibos
    ABI

  10. Exploring K2MAuI6 (M = Sc, Y) Double Perovskite Halides for Solar Cells: Insights from DFT-Based Investigations

    Anjali Kumari, P. P. Paroha, Jisha Annie Abraham +5

    Maqola20243 iqtibos
    ABI

  11. A DFT Study of Structural, Elastic, Thermodynamic, Magneto-optical, and Electrical Properties of Double-Perovskite Bi2CrMO6 (M = Zn, Ni) Using GGA and TB-mBj Functionals

    E. Maskar, A. Fakhim Lamrani, M. Belaı̈che +4

    Maqola20213 iqtibos
    ABI

  12. 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

    Maqola20233 iqtibos
    ABI

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    Boshqa3 iqtibos
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  14. Comprehensive study of structural, elastic, electronic, optical, and thermoelectric properties of Rb2NaTlZ6 (Z = Cl, Br, and I) by DFT

    Syed Hatim Shah, Peng Song, Taihong Huang +4

    Maqola20243 iqtibos
    ABI

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