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Работы, на которые ссылается эта работа

Работ: 42

Работа: High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

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

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 64
    ABI

  2. Projector augmented-wave method

    Peter E. Blöchl

    Статья1994Цитирований: 42
    ABI

  3. From ultrasoft pseudopotentials to the projector augmented-wave method

    Georg Kresse, Daniel P. Joubert

    Статья1999Цитирований: 39
    ABI

  4. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 33
    ABI

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

    Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai +1

    Статья2009Цитирований: 33
    ABI

  6. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Статья1962Цитирований: 15
    ABI

  7. BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

    Georg K. H. Madsen, Jesús Carrete, Matthieu J. Verstraete

    Статья2018Цитирований: 14
    ABI

  8. Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF<sub>3</sub> (M = Ti, V, Zr, Nb) <i>via</i> DFT studies

    Abdullah Abdullah, Muhammad Sajjad, Umar Ayaz Khan +6

    Статья2022Цитирований: 13
    ABI

  9. Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF<sub>3</sub> (M = Rb and Cs) via Density Functional Theory Computation

    Abdullah Abdullah, Umar Ayaz Khan, Sajid Khan +8

    Статья2022Цитирований: 13
    ABI

  10. Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl<sub>3</sub> (X = Rb, Cs): a first-principles calculations

    Naimat Ullah Khan, Abdullah Abdullah, Umar Ayaz Khan +5

    Статья2023Цитирований: 11
    ABI

  11. First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)

    Nasir Rahman, Mudasser Husain, Juan Yang +10

    Статья2021Цитирований: 7
    ABI

  12. <i>Ab initio</i> investigation of structural, electronic, magnetic, elastic, and optical properties of Cs-based chloro-perovskites CsXCl3 (X = Be and Rh)

    Umar Ayaz, Shazia, Abdullah Abdullah +3

    Статья2021Цитирований: 7
    ABI

  13. Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

    Ali Algahtani, Amina, Fida Rehman +8

    СтатьяPerovskite Materials and ApplicationsInorganic Chemistry Communications2024Цитирований: 6
    ABI

  14. The electronic and optical properties of the fluoroperovskite BaXF3 (X=Li, Na, K, and Rb) compounds

    A. A. Mubarak, Ahmad A. Mousa

    Статья2012Цитирований: 5
    ABI

  15. Insight into the physical properties of the inter-metallic titanium-based binary compounds

    Mudasser Husain, Nasir Rahman, A.H. Reshak +6

    Статья2021Цитирований: 5
    ABI

  16. Oxygen vacancies induced variations in structural, optical and dielectric properties of SnO2/graphite nanocomposite

    Syed Zulfiqar, Sardar Ali Khan, Nasir Rahman +9

    Статья2021Цитирований: 5
    ABI

  17. <i>Ab initio</i> investigation of the physical properties of Tl based chloroperovskites TlXCl3 (X = Ca and Cd)

    Shams u Zaman, Nasir Rahman, Muhammad Shoaib Arif +6

    Статья2021Цитирований: 5
    ABI

  18. From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives

    Zewen Xiao, Zhaoning Song, Yanfa Yan

    Обзорная статья2019Цитирований: 4
    ABI

  19. Proportional Optimization Model of Multiscale Spherical BN for Enhancing Thermal Conductivity

    Senyuan Yang, Zhengyong Huang, Qinghua Hu +4

    Статья2022Цитирований: 4
    ABI

  20. Structural, Electronic, Elastic, and Optical Properties of Cubic BaLiX&lt;sub&gt;3&lt;/sub&gt; (X = F, Cl, Br, or I) Perovskites: An &lt;i&gt;Ab-initio&lt;/i&gt; DFT Study

    Redi Kristian Pingak, Soukaina Bouhmaidi, Larbi Setti +5

    Статья2023Цитирований: 3
    ABI

  21. <i>Ab initio</i> study of the bandgap engineering of Al1−xGaxN for optoelectronic applications

    B. Amin, Iftikhar Ahmad, Muhammad Maqbool +2

    Статья2011Цитирований: 3
    ABI

  22. Understanding the Instability of the Halide Perovskite CsPbI<sub>3</sub> through Temperature‐Dependent Structural Analysis

    Daniel B. Straus, Shu Guo, Milinda Abeykoon +1

    Статья2020Цитирований: 3
    ABI

  23. Theoretical investigation of structural, electronic, elastic, and optical properties of rubidium-based perovskites RbSrX3 (X = Cl, Br) for optoelectronic device applications – A DFT study

    G. Ajay, V. Ashwin, M. Mohamed Sheik Sirajuddeen +1

    Статья2024Цитирований: 3
    ABI

  24. Vacancy-engineered half-metallicity and magnetic anisotropy in CrSI semiconductor monolayer

    Iltaf Muhammad, Anwar Ali, Liguo Zhou +2

    Статья2022Цитирований: 2
    ABI

  25. Recent Advances toward High‐Efficiency Halide Perovskite Light‐Emitting Diodes: Review and Perspective

    Quyet Van Le, Ho Won Jang, Soo Young Kim

    Статья2018Цитирований: 2
    ABI