A first principle investigation to explore the effect of Zr-site Ti doping on structural, electronic, optical, and mechanical properties of BaZrO3 Article Swipe

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Apon Kumar Datta , M. Khalid Hossain , M.S. Revathy , M. Sudhakara Reddy , Abhayveer Singh , Sudha Radhika , Satish Choudhury , A. Bisht , Abdullah M. S. Alhuthali , Magda H. Abdellattif , R. Balachandran , Rajesh Haldhar ·

YOU? · · 2025 · Open Access · · DOI: https://doi.org/10.1038/s41598-025-11576-9

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Materials Science

Condensed Matter Physics

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Doping Materials science Electronic structure First principle Condensed matter physics Engineering physics Nanotechnology Optoelectronics Density functional theory Chemistry Computational chemistry Physics

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Type: article
Language: en
Landing Page: https://doi.org/10.1038/s41598-025-11576-9
PDF: https://www.nature.com/articles/s41598-025-11576-9.pdf
OA Status: gold
References: 116
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OpenAlex ID: https://openalex.org/W4412506627

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DOI: https://doi.org/10.1038/s41598-025-11576-9

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Title: A first principle investigation to explore the effect of Zr-site Ti doping on structural, electronic, optical, and mechanical properties of BaZrO3

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Type: article

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Language: en

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Publication year: 2025

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Publication date: 2025-07-21

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Authors: Apon Kumar Datta, M. Khalid Hossain, M.S. Revathy, M. Sudhakara Reddy, Abhayveer Singh, Sudha Radhika, Satish Choudhury, A. Bisht, Abdullah M. S. Alhuthali, Magda H. Abdellattif, R. Balachandran, Rajesh Haldhar

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Landing page: https://doi.org/10.1038/s41598-025-11576-9

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Concepts: Doping, Materials science, Electronic structure, First principle, Condensed matter physics, Engineering physics, Nanotechnology, Optoelectronics, Density functional theory, Chemistry, Computational chemistry, Physics

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