Jagrati Sahariya

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Publications (118)

• Electronic and energy conversion properties of lead-free Cs2LiAX6 (A = As, Ga) halide double perovskites: A first-principles study
  Physica B: Condensed Matter 2026 DOI: 10.1016/j.physb.2026.419208
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• Structural stability, electronic structure and optical properties of alkali-metal-based yttrium selenides AYSe2: A first-principles study
  Solid State Communications 2026 DOI: 10.1016/j.ssc.2026.116430
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• Inorganic lead-free double perovskites for eco-friendly energy conversion technology
  Journal of Materials Science: Materials in Electronics 2025 DOI: 10.1007/s10854-025-16271-z
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• First-principles insights into the wide band gap alkaline-earth hafnates for photocatalytic and optoelectronic applications
  Materials Science and Engineering: B 2025 DOI: 10.1016/j.mseb.2025.118486
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• Intermediate band formation, band gap tuning and optical response of transition metal doped CuGaS2 chalcopyrite: A first-principles strategy
  Physica B: Condensed Matter 2025 DOI: 10.1016/j.physb.2025.417320
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• Electronic and optical response of lithium battery cathode Li(Mn/Co)O2: Compton spectroscopy, Gaussian and muffin-tin DFT computations
  Physica B: Condensed Matter 2025 DOI: 10.1016/j.physb.2025.417006
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• Investigating the multifaceted properties of K and Rb-based halide double perovskites via density functional theory
  Solid State Communications 2025 DOI: 10.1016/j.ssc.2024.115809
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• First principle investigations of opto-electronic and thermoelectric response of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds
  Physica Scripta 2024 DOI: 10.1088/1402-4896/ad5c1b
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• Investigation of electronic and optical properties of alkali atom doped CuInSe2 using density functional theory
  Physica Scripta 2023 DOI: 10.1088/1402-4896/ace489
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• A first principle investigations for electronic, optical and mechanical response of novel Ba2AgIO6 perovskite
  Physica Scripta 2023 DOI: 10.1088/1402-4896/acdeb5
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