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Работы, на которые ссылается эта работа

Работ: 38

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

  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. 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

  6. 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

  7. 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

  8. First-principles calculations of mechanical properties of TiC and TiN

    Yao Yang, Hao Lü, Chenjun Yu +1

    Статья2009Цитирований: 8
    ABI

  9. 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

  10. Thermophysical Properties of Materials

    H.-J. Fecht, R. Wunderlich, L. Battezzati +4

    Книга1999Цитирований: 5
    ABI

  11. Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl<sub>3</sub>Compound: An ab initio Study

    K. Ephraim Babu, N. Murali, K. Vijaya Babu +2

    Статья2014Цитирований: 5
    ABI

  12. First principles study on the electronic and optical properties of B-site ordered double perovskite Sr2MMoO6 (M=Mg, Ca, and Zn)

    Shuai Zhao, Chunfeng Lan, Jie Ma +3

    Статья2015Цитирований: 5
    ABI

  13. 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

  14. Comparative study of perovskite-type scintillator materials CsCaI <sub>3</sub> and KCaI <sub>3</sub> via first-principles calculations

    Byungkyun Kang, Qingguo Feng, Koushik Biswas

    Статья2017Цитирований: 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. A Density Functional Theory Investigations of Half-Heusler Compounds RhVZ (Z = P, As, Sb)

    Rashid Ahmad, Nasir Mehmood

    Статья2017Цитирований: 4
    ABI

  17. First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6

    Xian‐Hao Zhao, Xiaonan Wei, Tian‐Yu Tang +4

    Статья2021Цитирований: 4
    ABI

  18. Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound

    Dibya Prakash Rai, R. K. Thapa

    Статья2014Цитирований: 3
    ABI

  19. Phase transition and elasticity of gallium arsenide under pressure

    E. Güler, M. Güler

    Статья2014Цитирований: 3
    ABI

  20. First principles study of structural and optoelectronic properties of Li based half Heusler alloys

    A. Amudhavalli, R. Rajeswarapalanichamy, K. Iyakutti +1

    Статья2018Цитирований: 3
    ABI

  21. First Principle Study of Structural, Electronic, Elastic, and Magnetic Properties of Half-Heusler Compounds ScTiX (X = Si, Ge, Pb, In, Sb, and Tl)

    Nasir Rahman, Mudasser Husain, Juan Yang +9

    Статья2020Цитирований: 3
    ABI

  22. Computational prediction of structural, electronic, and optical properties and phase stability of double perovskites K<sub>2</sub>SnX<sub>6</sub> (X = I, Br, Cl)

    Un-Gi Jong, Chol‐Jun Yu, Yun-Hyok Kye

    Статья2019Цитирований: 2
    ABI

  23. Predicting efficiencies &amp;gt;25% A3MX3 photovoltaic materials and Cu ion implantation modification

    Hong‐Jian Feng, Qiang Zhang

    Статья2021Цитирований: 2
    ABI

  24. A first principle comparison of arsenic-based double halide perovskite materials for photovoltaic and optoelectronic application

    Tian‐Yu Tang, Yan-Lin Tang

    Статья2022Цитирований: 2
    ABI

  25. An investigation on strain-incited electronic and optical properties of novel inorganic cubic material Sr3AsCl3

    Md. Ferdous Rahman, Md. Monirul Islam, Md. Rasidul Islam +7

    Статья2023Цитирований: 2
    ABI