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38 ta ish

Ish: 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

    Maqola199679 iqtibos
    ABI

  2. Projector augmented-wave method

    Peter E. Blöchl

    Maqola199449 iqtibos
    ABI

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

    Georg Kresse, Daniel P. Joubert

    Maqola199949 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199638 iqtibos
    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

    MaqolaOchiq kirish202214 iqtibos
    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

    MaqolaOchiq kirish202213 iqtibos
    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

    MaqolaOchiq kirish202311 iqtibos
    ABI

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

    Yao Yang, Hao Lü, Chenjun Yu +1

    Maqola20098 iqtibos
    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

    Maqola20217 iqtibos
    ABI

  10. Thermophysical Properties of Materials

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

    Kitob19995 iqtibos
    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

    MaqolaOchiq kirish20145 iqtibos
    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

    Maqola20155 iqtibos
    ABI

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

    A. A. Mubarak, Ahmad A. Mousa

    Maqola20125 iqtibos
    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

    Maqola20175 iqtibos
    ABI

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

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

    Maqola20215 iqtibos
    ABI

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

    Rashid Ahmad, Nasir Mehmood

    Maqola20174 iqtibos
    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

    Maqola20214 iqtibos
    ABI

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

    Dibya Prakash Rai, R. K. Thapa

    Maqola20143 iqtibos
    ABI

  19. Phase transition and elasticity of gallium arsenide under pressure

    E. Güler, M. Güler

    MaqolaOchiq kirish20143 iqtibos
    ABI

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

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

    Maqola20183 iqtibos
    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

    Maqola20203 iqtibos
    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

    MaqolaOchiq kirish20192 iqtibos
    ABI

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

    Hong‐Jian Feng, Qiang Zhang

    Maqola20212 iqtibos
    ABI

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

    Tian‐Yu Tang, Yan-Lin Tang

    Maqola20222 iqtibos
    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

    Maqola20232 iqtibos
    ABI