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71 ta ish

Ish: Probing the physical properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
    ABI

  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197660 iqtibos
    ABI

  3. BoltzTraP. A code for calculating band-structure dependent quantities

    Georg K. H. Madsen, David J. Singh

    Maqola200637 iqtibos
    ABI

  4. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Maqola194434 iqtibos
    ABI

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

    Fabien Tran, Peter Blaha

    Maqola200933 iqtibos
    ABI

  6. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

    Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai +1

    Maqola200933 iqtibos
    ABI

  7. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

    R. D. Shannon

    Maqola197630 iqtibos
    ABI

  8. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Maqola195221 iqtibos
    ABI

  9. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3

    Maqola202418 iqtibos
    ABI

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

    Claudia Draxl, Jorge O. Sofo

    Maqola200616 iqtibos
    ABI

  11. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    Maqola202415 iqtibos
    ABI

  12. First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications

    Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor +4

    Maqola202412 iqtibos
    ABI

  13. Theoretical predictions of structure and related properties of intermetallics

    D. G. Pettifor

    Maqola199210 iqtibos
    ABI

  14. Cs<sub>2</sub>InAgCl<sub>6</sub>: A New Lead-Free Halide Double Perovskite with Direct Band Gap

    George Volonakis, Amir A. Haghighirad, Rebecca L. Milot +7

    Maqola20177 iqtibos
    ABI

  15. A DFT investigation of mechanical, optical and thermoelectric properties of double perovskites K2AgAsX6 (X = Cl, Br) halides

    Maiza Zanib, Muhammad Waqas Iqbal, Mumtaz Manzoor +8

    Maqola20237 iqtibos
    ABI

  16. 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

  17. Vibrational and transport phenomenon in Cs2CdZnCl6 double perovskite: A DFT study

    Nazia Erum, Ramesh Sharma, Hamid Ullah +3

    Maqola20236 iqtibos
    ABI

  18. Explored the potential of Rb2SeX6 (X=Cl, Br) double perovskites for energy harvesting devices: A DFT study

    Mumtaz Manzoor, Aparna Dixit, Muhammad Waqas Iqbal +6

    Maqola20246 iqtibos
    ABI

  19. A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies

    Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor +3

    Maqola20246 iqtibos
    ABI

  20. Tailoring the physical, optoelectronic and transport properties of novel lead-free Sodium perovskites Na2TeX6 (X = Cl, Br, I) using DFT computation for photovoltaic and thermal devices

    Mumtaz Manzoor, Mukhtiar Hussain, Muhammad Aslam +4

    Maqola20246 iqtibos
    ABI

  21. A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications

    Adam H. Slavney, Te Hu, Aaron M. Lindenberg +1

    Maqola20165 iqtibos
    ABI

  22. DFT insights on the opto-electronic and thermoelectric properties of double perovskites K2AgSbX6 (X = Cl, Br) via halides substitutions for solar cell applications

    Muhammad Waqas Iqbal, Mumtaz Manzoor, Soumaya Gouadria +6

    Maqola20235 iqtibos
    ABI

  23. Novel high-entropy perovskite titanate: A potential thermal protective material with improved thermophysical properties

    Chang Gao, Jinpeng Zhu, Songbo Ye +3

    Maqola20244 iqtibos
    ABI

  24. Probing direct bandgap of double perovskites Rb2LiTlX6 (X = Cl, Br) and optoelectronic characteristics for Solar cell applications: DFT calculations

    Mumtaz Manzoor, Muhammad Waqas Iqbal, Muhammad Imran +4

    Maqola20224 iqtibos
    ABI

  25. Exploring the physical properties of novel double perovskites A2InAsO6 (A=Sr, Ba) for renewable energy applications: Ab-initio calculations

    Anjali Kumari, Jisha Annie Abraham, Mumtaz Manzoor +4

    Maqola20244 iqtibos
    ABI