DA Biava, Subhradip Ghosh, DD Johnson, WA Shelton, AV Smirnov
Systematic, multisite short-range-order corrections to the electronic structure of disordered alloys from first principles: The KKR nonlocal CPA from the dynamical cluster approximation Physical Review-Section B-Condensed Matter,72,113105-113105
Systematically exact integrated density-of-states Lloyd’s formula for disordered alloys with short-range order Physical Review B—Condensed Matter and Materials Physics 73 (8), 085106
Aftab Alam, Subhradip Ghosh, and Abhijit Mookerjee
Phonons in disordered alloys: Comparison between augmented-space-based approximations for configuration averaging to integration from first principles, Phys. Rev. B 75, 134202
Electronic and magnetic properties of disordered Fe–Cr alloys using different electronic structure methods, Journal of Physics: Condensed Matter, 20, 44, 445202
The phonon spectra and elastic constants of PdxFe1− x: an understanding from inter-atomic interactions, Journal of Physics: Condensed Matter, 21, 9, 095411
First-principles investigations of the electronic structure and properties related to shape-memory behavior in Mn2NiX (X= Al, Ga, In, Sn) alloys, Journal of Applied Physics
Munima B Sahariah, Subhradip Ghosh, Chabungbam S Singh, S Gowtham, Ravindra Pandey
First-principles computation of structural, elastic and magnetic properties of Ni2FeGa across the martensitic transformation, Journal of Physics: Condensed Matter
Density functional theory based comparative study of electronic structures and magnetic properties of spinel ACr2O4 (A= Mn, Fe, Co, Ni) compounds, Journal of Physics D: Applied Physics
Bhargab Deka, Ashis Kundu, Subhradip Ghosh, A Srinivasan
Effect of electron-electron correlation and site disorder on the magnetic moment and half-metallicity of Co2FeGa1− xSix alloys, Materials Chemistry and Physics
Systematic analysis of structural and magnetic properties of spinel CoB2O4 (B= Cr, Mn and Fe) compounds from their electronic structures, Journal of Physics: Condensed Matter
First-principles investigations into the thermodynamics of cation disorder and its impact on electronic structure and magnetic properties of spinel Co (Cr1–xMnx) 2O4, Journal of Physics: Condensed Matter
Effect of Fe and Co substitution on the martensitic stability and the elastic, electronic, and magnetic properties of Mn2NiGa: Insights from ab initio calculations, Physical Review B
Role of composition, site ordering, and magnetic structure for the structural stability of off-stoichiometric Ni2MnSb alloys with excess Ni and Mn, Physical Review B
P. Pramanik, S. Ghosh, P. Yanda, D. C. Joshi, S. Pittala, A. Sundaresan, P. K. Mishra, S. Thota, and M. S. Seehra
Magnetic ground state, field-induced transitions, electronic structure, and optical band gap of the frustrated antiferromagnet GeCo2O4, Physical Review B
Site dependent substitution and half-metallic behaviour in Heusler compounds: A case study for Mn2RhSi, Co2RhSi and CoRhMnSi, Computational Condensed Matter
Understanding the origin of the magnetocaloric effects in substitutional Ni-Mn-Sb-𝑍(𝑍=Fe,Co,Cu) compounds: Insights from first-principles calculations, Phys. Rev. B
Cosubstitution in Ni-Mn-Sb Heusler compounds: Realization of room-temperature reversible magnetocaloric effect driven by second-order magnetic transition, Phys. Rev. Materials
Understanding the interfacial charge transfer in the CVD grown Bi2O2Se/CsPbBr3 nanocrystal heterostructure and its exploitation in superior photodetection: experiment vs. theory, Nanoscale
Giant magnetocaloric effect driven by first-order magnetostructural transition in cosubstituted Ni-Mn-Sb Heusler compounds: Predictions from ab initio and Monte Carlo calculations, Physical Review B
Tailoring the electronic structure and magnetic properties of pyrochlore Co2Ti1− x Ge x O4: a GGA+ U ab initio study, Journal of Physics: Condensed Matter
Theoretical investigation of capacitances in functionalised MXene supercapacitors M n+ 1C n O2, M= Ti, V, Nb, Mo, Journal of Physics D: Applied Physics
Experimental and theoretical study of europium-doped organometal halide perovskite nanoplatelets for UV photodetection with high responsivity and fast response, Nanoscale
Bhargab Deka, Ashis Kundu, Subhradip Ghosh, A Srinivasan
Effects of composition variation and site disorder on the magnetic interactions in Ru2Fe (Si1-xGex) alloys, Journal of Magnetism and Magnetic Materials
Two-dimensional bismuth oxyselenide quantum dots as nanosensors for selective metal ion detection over a wide dynamic range: sensing mechanism and selectivity, Nanoscale
Structural arrangement and improved thermoelectric figure of merit in hexagonal SiX (X= N, P, As, Sb, Bi) monolayers: understanding from first-principles calculations, Journal of Physics D: Applied Physics
Computational study based prediction of new photocatalysts for water splitting by systematic manipulation of MXene surfaces, Journal of Materials Chemistry C
Strain aided drastic reduction in lattice thermal conductivity and improved thermoelectric properties in Janus MXenes, Journal of Physics: Condensed Matter
Harnessing true capacitive activity of nitrogen-doped MXene through hydrogel assembly and theoretical understanding of the role of dopant sites, Carbon
Sensing Food Quality by Free-Standing Silicene Nanosheets: A Combined Density Functional Theory and Nonequilibrium Green's Function Method Study, physica status solidi (b)
