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13 works

Work: Finite Elastic Strain of Cubic Crystals

  1. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    ArticlePerovskite Materials and ApplicationsChemical Physics202411 citations
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  2. Electronic, mechanical and piezoelectric properties of glass-like complex Na<sub>2</sub>Si<sub>1−<i>x</i></sub>Ge<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0.0, 0.25, 0.50, 0.75, 1.0)

    R. Zosiamliana, B. Chettri, Guilherme S. L. Fabris +4

    ArticleFerroelectric and Piezoelectric MaterialsRSC Advances20224 citations
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  3. Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

    Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7

    ArticlePerovskite Materials and ApplicationsEnergy & Fuels20231 citations
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  4. First-principles investigation of the structural and elastic properties of Be<sub>12</sub>Ti under high pressure

    X. K. Liu, Wei Zhou, X. Liu +1

    ArticleBoron and Carbon Nanomaterials ResearchRSC Advances20151 citations
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  5. Structural instabilities and mechanical properties of U<sub>2</sub>Mo from first principles calculations

    Liu Ben-Qiong, Xiaoxi Duan, Guangai Sun +2

    ArticleBoron and Carbon Nanomaterials ResearchPhysical Chemistry Chemical Physics20140 citations
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  6. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

    Ehsan Zahedi, Mirabbos Hojamberdiev

    ArticleHigh-pressure geophysics and materialsThe European Physical Journal B20170 citations
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  7. Pressure-induced phase transition of La<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> and La<sub>0.5</sub>Gd<sub>1.5</sub>Zr<sub>2</sub>O<sub>7</sub> pyrochlore

    Jingjing Niu, Xiang Wu, Haibin Zhang +1

    ArticleNuclear materials and radiation effectsRSC Advances20190 citations
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  8. Ultrasonic Interactions with Microstructural Defects in Platinum Group Metal Nitrides

    Rakesh Kumar, Devraj Singh, Sudhanshu Tripathi +2

    ArticleMetal and Thin Film MechanicsJohnson Matthey Technology Review20240 citations
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  9. Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO<sub>2</sub>

    Liam A. V. Nagle‐Cocco, J. Steele, Shiyu Deng +6

    ArticleCrystal Structures and PropertiesJournal of Physics Condensed Matter20250 citations
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  10. Investigating the Pressure-Dependent Enhancement of Oxide Layers (Al <sub>2</sub> O <sub>3</sub> ) at Elevated Temperatures: A Theoretical and Experimental Analysis

    Shabir Ali, Ali B.M. Ali, Xinhua Wang +4

    ArticleSemiconductor materials and devicesNANO20250 citations
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  11. 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
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  12. Unveiling the Phase Evolution of Quaternary Iron-Group Metal Nitrides through High-Pressure Directed Synthesis

    Weiguo Li, 刘德璞, Jingyi Liu +4

    ArticleBoron and Carbon Nanomaterials ResearchInorganic Chemistry20260 citations
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  13. Effect of Br Substitution on KBeCl <sub>3</sub> : Optoelectronic and Mechanical Properties via First‐Principle Calculations

    Archana, Vipul Srivastav, Madaminov Sanjarbek Maxmudjon Ugli

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of the American Ceramic Society20260 citations
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