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58 ta ish

Ish: First-Principles Investigation of Structural, Electronic, Mechanical and Optical Properties of Tl Based Semiconducting Perovskites TlVX3 (X = Br, I) for Reflective Coating Applications

  1. Evaluating the Potential of Ca3SbBr3 Halide Perovskite for Photovoltaics: A Structural, Mechanical, and Optoelectronic Study Using GGA-PBE and HSE06 Functionals

    Krishna Kumar Mishra

    Maqola20243 iqtibos
    ABI

  2. Exploring the Physical, Electrical and Optical Properties of Cs2LiInBr6 Perovskite: An Extensive study Utilizing DFT Based GGA-PBE and HSE06 Functionals

    Krishna Kumar Mishra

    Maqola20243 iqtibos
    ABI

  3. Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B Nb, Ta) compounds

    Mumtaz Manzoor, Debidatta Behera, Ramesh Sharma +3

    Maqola20243 iqtibos
    ABI

  4. Mechanical properties of hybrid organic-inorganic perovskites

    Lijun Ji, Shijing Sun, Yan Qin +2

    Maqola20193 iqtibos
    ABI

  5. Insight into the structural, elastic, lattice dynamical, optical, and thermoelectric properties of novel Heusler alloy LiCaBi by first-principles approach

    Jisha Annie Abraham, Debidatta Behera, Kshitij Srivastava +5

    Maqola20233 iqtibos
    ABI

  6. Insight into Structural, Electronic, Elastic and Optical Properties of Thallium Based Perovskite TlXBr3 (X = Ti, Zr) via DFT Study for Reflective Coating

    A.M. Quraishi, Amina, Sajid Khan +10

    MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20242 iqtibos
    ABI

  7. Rapid estimation of elastic constants by molecular dynamics simulation under constant stress

    Wataru Shinoda, Motoyuki Shiga, Masuhiro Mikami

    Maqola20042 iqtibos
    ABI

  8. Ab initio study of fundamental properties of ACdX3 (A = K, Rb, Cs; and X = F, Cl, Br) halide perovskite compounds

    Saadi Berri, N. Bouarissa

    Maqola20232 iqtibos
    ABI

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

    M. Roknuzzaman, Chunmei Zhang, Kostya Ostrikov +4

    Maqola20192 iqtibos
    ABI

  10. Analysing the suitability of CaTiO<sub>3</sub>/Ca<sub>1–x</sub>Sr<sub>x</sub>TiO<sub>3</sub>/SrTiO<sub>3</sub> perovskite for fabrication of optoelectronic devices using QuantumATK tool: a study for electronic and optical properties

    Sonia Chahar, Krishna Kumar Mishra, Rajnish Sharma

    Maqola20242 iqtibos
    ABI

  11. Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach

    Debidatta Behera, Ramesh Sharma, Hamid Ullah +2

    Maqola20222 iqtibos
    ABI

  12. Studies on Optoelectronic and Transport Properties of XSnBr3 (X = Rb/Cs): A DFT Insight

    Debidatta Behera, Boumaza Akila, Sanat Kumar Mukherjee +3

    Maqola20232 iqtibos
    ABI

  13. A DFT insight into the physical features of alkaline based perovskite compounds AInBr3 (A = K, Rb)

    Debidatta Behera, Dhan Raj Lawati, Mohamed Agouri +4

    Maqola20242 iqtibos
    ABI

  14. <i>Ab initio</i> investigation of the structural, electronic, magnetic and optical properties of the perovskite TlMnX<sub>3</sub> (X = F, Cl) compounds

    Farida Hamioud, G. S. AlGhamdi, S. Al‐Omari +1

    Maqola20162 iqtibos
    ABI

  15. MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials

    Sobhit Singh, Logan Lang, Viviana Dovale-Farelo +4

    Maqola20212 iqtibos
    ABI

  16. Study of Tl-based perovskite materials TlZX3 (Z = Ge, Sn, Be, Sr; X = Cl, Br, I) for application in scintillators: DFT and TD-DFT approach

    Pooja Sharma, Prabhat Ranjan, Tanmoy Chakraborty

    Maqola20232 iqtibos
    ABI

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