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Работы, на которые ссылается эта работа

Работ: 86

Работа: DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 153
    ABI

  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 64
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Статья1965Цитирований: 44
    ABI

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

    Georg K. H. Madsen, David J. Singh

    Статья2006Цитирований: 37
    ABI

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

    Fabien Tran, Peter Blaha

    Статья2009Цитирований: 33
    ABI

  6. 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

    Статья2024Цитирований: 18
    ABI

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

    Claudia Draxl, Jorge O. Sofo

    Статья2006Цитирований: 16
    ABI

  8. IRelast package

    M. Jamal, M. Bilal, Iftikhar Ahmad +1

    Статья2017Цитирований: 14
    ABI

  9. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    СтатьяPerovskite Materials and ApplicationsChemical Physics2024Цитирований: 11
    ABI

  10. A DFT Approach to Study the Vacancy Ordered lead free Double Inorganic Perovskites Na2PtX6 (X = Cl, Br) for Sustainable Technologies

    Ammar M. Tighezza, Abrar Nazir, Ejaz Ahmad Khera +3

    Статья2024Цитирований: 10
    ABI

  11. Theoretical Engineering of Structural, Electronic, and Optical Characteristics of Double Perovskite Sr2XWO6 (X = Co, Zn) for Optical Devices

    Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum +3

    Статья2024Цитирований: 9
    ABI

  12. The Thermal Conductivity of Nonmetallic Crystals

    Glen A. Slack

    Глава1979Цитирований: 8
    ABI

  13. 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

    Статья2019Цитирований: 7
    ABI

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

    Nazia Erum, Ramesh Sharma, Hamid Ullah +3

    Статья2023Цитирований: 6
    ABI

  15. 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

    Статья2024Цитирований: 6
    ABI

  16. Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics

    Muhammad Waqas Iqbal, Mumtaz Manzoor, N.A. Noor +6

    Статья2022Цитирований: 5
    ABI

  17. Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

    Alberto Otero‐de‐la‐Roza, David Abbasi-Pérez, Vı́ctor Luaña

    Статья2011Цитирований: 5
    ABI

  18. Exploring the structural, electronic, optical, and thermoelectric properties of potassium-based double perovskites K2AgXI6 (X = Sb, Bi) compounds: A DFT study

    Mumtaz Manzoor, Muhammad Waqas Iqbal, N.A. Noor +3

    Статья2022Цитирований: 5
    ABI

  19. 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

    Статья2023Цитирований: 5
    ABI

  20. Screening the Structural, Tuning Band Gaps, Optical and Thermal Properties of Inorganic A2AgRhF6 (A = Na, Rb) Double Perovskites Halide Using DFT Calculations

    Muhammad Mahadi Abdul Jamil, Aparna Dixit, Junaid Munir +5

    Статья2024Цитирований: 5
    ABI

  21. 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

    Статья2022Цитирований: 4
    ABI

  22. A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6

    Jisha Annie Abraham, Debidatta Behera, K. Bueala Kumari +3

    Статья2022Цитирований: 4
    ABI

  23. Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties

    Bharti Gurunani, Sukriti Ghosh, Dinesh C. Gupta

    Статья2024Цитирований: 4
    ABI

  24. 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

    Статья2024Цитирований: 4
    ABI

  25. 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

    Статья2018Цитирований: 3
    ABI