- 6. Amit Ramchiary, Bibekananda Rabha, Asitbaran Barik, Debarun Sen & Paritosh Mondal : “Encapsulation of inert gas on Sc-decorated Si12C12 heterofullerene for reversible hydrogen storage: A first-principles investigation” | International Journal of Hydrogen Energy [2025]
- DOI : https://doi.org/10.1016/j.ijhydene.2025.02.465
- 5. Seram Rebika Devi & B. Indrajit Sharma : “First-principles calculation for electronic, optical and transport properties of SnTe: A DFT study with different exchange-correlation potentials” | Physica B: Condensed Matter [2025]
- DOI : https://doi.org/10.1016/j.physb.2025.417008
- 4. Seram Rebika Devi & B. Indrajit Sharma : “Comprehensive analysis of structural and elastic properties of SnTe: insights from LDA, GGA and PBEsol calculations with density functional theory” | Journal of the Korean Physical Society [2025]
- DOI : https://doi.org/10.1007/s40042-025-01310-z
- 3. Burhan Ahmed, S Rebika Devi & B Indrajit Sharma : “DFT study with van der Waals interactions of surface state electronic properties of As-doped Bi2Se3 topological insulator” | Interactions [2025]
- DOI : https://doi.org/10.1007/s10751-024-02231-2
- 2. Baharul Islam Laskar & Pradeep Kumar Shukla : “Potential of graphene as an adsorbent for HSSS· radical – A DFT investigation” | Physica B: Condensed Matter [2024]
- DOI : https://doi.org/10.1016/j.physb.2024.416428
- 1. Seram Rebika Devi, Burhan Ahmed & B. Indrajit Sharma : “Density functional study of structural and optoelectronic properties of SnTe: rocksalt and orthorhombic phases” | Interactions [2024]
- DOI : https://doi.org/10.1007/s10751-024-02203-6