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Dibya Prakash Rai

Assistant Professor · Pachhunga University College

https://researchid.co/dprai1985
@pucollege.edu.in
228Scopus Publications
5395Google Scholar Citations
40Google Scholar h-index
135Google Scholar i10-index

Research Interests

Transition Metal based strongly correlated materials (Heusler compounds, half metals). Thermoelectric materials and enhancing their efficiency on doping of heavy elements. 2D single/multi atomic layers, superlattices, nanostructuring, Ferroelectric, Piezoelect...

Recent Scopus Publications

  1. First-principles engineering of functional fluoro-perovskites KXF3 (X = Fe, Co): A study on stability, electronic, opto-magnetic, thermoelectric, and thermodynamic properties for spintronic and solar technologies
    Computational Condensed Matter, 2026
  2. Electronic properties of Kagome metal YbV3Sb4: A first-principles study
    Physical Review Materials, 2026
  3. Multifunctional properties of Mn-Fe-Ni A-Site alloyed titanate perovskites for energy-harvesting applications: a first-principles study
    Physica Scripta, 2026
  4. Crystal structure, Hirshfeld surface analysis and DFT studies of 15-bromobenzo[4,5]quinolino[3,2,1-kl]phenothiazine
    Journal of Molecular Structure, 2026
  5. First-Principles Study of Double Perovskite Hydrides Cs2RbAlH6 and Rb2CaNiH6 for Combined Hydrogen Storage and Semiconducting Applications
    Advanced Theory and Simulations, 2026

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