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6 works

Work: Full-potential, linearized augmented plane wave programs for crystalline systems

  1. Structural, Electronic, Optical and Elastic Characteristics of Cubic Perovskites TlXBr3 (X = Cu, Ag): A First Principles Calculations

    Ghaferah H. Al‐Hazmi, Amina, Albandary Almahri +9

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20241 citations
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  2. DFT‐Based Insight Into Rare‐Earth Aluminum Oxides R <sub>3</sub> Al <sub>5</sub> O <sub>12</sub> (R = Ce and Sm) as Promising Thermal Barrier Coating

    Shabir Ali, Ali B. M. Ali, Xinhua Wang +3

    ArticleAdvanced ceramic materials synthesisMaterials and Corrosion20251 citations
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  3. Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu<sub>3</sub>TaX<sub>4</sub> (X = S, Se, and Te): An <i>ab Initio</i> Study

    Himanshu Joshi, A. Shankar, Nihal Limbu +7

    Review articleChalcogenide Semiconductor Thin FilmsACS Omega20221 citations
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  4. Tailoring the Optoelectronic and Thermoelectric Properties of Lead‐Free Double Perovskites K <sub>2</sub> NaBiZ <sub>6</sub> (Z = Br, I) for Renewable Energy Applications: A First‐Principles Density Functional Theory Investigation

    Aparna Dixit, Jisha Annie Abraham, Kaneez Fatima +6

    ArticlePerovskite Materials and ApplicationsEnergy Technology20250 citations
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  5. Unveiling the structural stability, optoelectronic and thermoelectric features of NaXI <sub>3</sub> (X=Sr, Be) halide perovskite for optoelectronic and green energy technology

    Yüjia Luo, Qiong Peng, Abrar Nazir +9

    ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics B20250 citations
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  6. Tailoring the thermodynamic stability of K2ScAgZ6 (Z Cl, Br, I) double halide perovskite at elevated pressure and temperature: A DFT-based analysis

    Shabir Ali, Ali B.M. Ali, Xinhua Wang +5

    ArticleThermal Expansion and Ionic ConductivityChemical Physics20260 citations
    ABI