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Работы, на которые ссылается эта работа

Работ: 34

Работа: Tailoring the thermodynamic stability of K2ScAgZ6 (Z Cl, Br, I) double halide perovskite at elevated pressure and temperature: A DFT-based analysis

  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. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Статья1944Цитирований: 34
    ABI

  4. Finite Elastic Strain of Cubic Crystals

    Francis Birch

    Статья1947Цитирований: 13
    ABI

  5. GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

    M. A. Blanco, E. Francisco, Vı́ctor Luaña

    Статья2004Цитирований: 8
    ABI

  6. Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics

    Wan‐Jian Yin, Baicheng Weng, Jie Ge +3

    Статья2018Цитирований: 7
    ABI

  7. Full-potential, linearized augmented plane wave programs for crystalline systems

    Peter Blaha, Karlheinz Schwarz, P. Sorantin +1

    Статья1990Цитирований: 6
    ABI

  8. Perdew, Burke, and Ernzerhof Reply:

    J. P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1998Цитирований: 4
    ABI

  9. Rational Design of Halide Double Perovskites for Optoelectronic Applications

    Xingang Zhao, Dongwen Yang, Ji‐Chang Ren +3

    Статья2018Цитирований: 3
    ABI

  10. High throughput screening of promising lead-free inorganic halide double perovskites <i>via</i> first-principles calculations

    Zhengyang Gao, Guangyang Mao, Shengyi Chen +7

    Статья2022Цитирований: 3
    ABI

  11. Comprehensive DFT study of K2TlZI6 (Z = Al, In) double perovskites: Structural stability and potential for optoelectronic and thermoelectric energy harvesting

    Samah Al‐Qaisi, Nazia Iram, N. Sfina +7

    Статья2025Цитирований: 3
    ABI

  12. Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

    Zhen Li, Mengjin Yang, Ji‐Sang Park +3

    Статья2015Цитирований: 3
    ABI

  13. First-principles calculations to investigate structural, mechanical, electronic, magnetic and thermoelectric properties of Ba2CaMO6 (M=Re, Os) cubic double perovskites

    Subhendu Das, Manish Debbarma, Debankita Ghosh +4

    Статья2021Цитирований: 3
    ABI

  14. First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)

    De‐Yuan Hu, Xian‐Hao Zhao, Tian‐Yu Tang +3

    Статья2021Цитирований: 2
    ABI

  15. Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X = Cl, Br, I) for solar cells and transport applications

    Abeer Mera, A. Almeshal, Syed Awais Rouf +4

    Статья2023Цитирований: 2
    ABI

  16. <scp>DFT</scp> Insights Into the Structural, Stability, Elastic, and Optoelectronic Characteristics of <scp> Na <sub>2</sub> LiZF <sub>6</sub> </scp> (Z = Ir and Rh) Double Perovskites for Sustainable Energy

    Adil Es‐Smairi, Samah Al‐Qaisi, N. Sfina +8

    Статья2025Цитирований: 2
    ABI

  17. Physical characteristics of Pb2FeSbO6 double perovskite for thermoelectric applications

    M. Caid, D. Rached, E. Deligöz +3

    Статья2025Цитирований: 2
    ABI

  18. First-principles investigation of K2InSbZ6 (Z= I, Br, Cl, F) eco-friendly halide double perovskites: Structural, thermodynamic, optoelectronic, and thermoelectric properties for efficient energy harvesting applications

    Abderrazak Boutramine, Samah Al‐Qaisi, Norah Algethami +6

    Статья2025Цитирований: 2
    ABI

  19. Theoretical investigation of structure stabilities, electronic and thermodynamic properties of 2D Mo-based MXene Mon+1Xn (X = C, N and n = 1, 2, 3)

    Shabir Ali, Xinhua Wang, Zuhra Tayyab +5

    Статья2024Цитирований: 2
    ABI

  20. First principle investigation of pressure-dependent structural stability of double perovskite Cs2GeMnM6 (M = Cl, Br, I) at elevated temperatures

    Shabir Ali, Zuhra Tayyab, Xinhua Wang +5

    Статья2025Цитирований: 2
    ABI

  21. Без названия

    ДругоеЦитирований: 1
    ABI

  22. Без названия

    ДругоеЦитирований: 1
    ABI

  23. Без названия

    ДругоеЦитирований: 1
    ABI

  24. Без названия

    ДругоеЦитирований: 1
    ABI

  25. Без названия

    ДругоеЦитирований: 1
    ABI