First-principles calculations to investigate structural, electronic, optical and mechanical properties of Hafnium-based compounds

JOURNAL ARTICLE

Year: 2024 Journal: Chemical Physics Vol: 586 Pages: 112390-112390 Publisher: Elsevier BV

DOI: 10.1016/j.chemphys.2024.112390

Keywords:

Chemistry Hafnium Electronic structure Computational chemistry Chemical physics Nanotechnology Inorganic chemistry Zirconium

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