Research Area
In many transition metal compounds the orbital component of the magnetic moment is neither quenched nor negligible, and standard mean-field treatments systematically underestimate it. Dynamical mean-field theory captures the dynamical electronic correlations responsible for this enhancement. This line of work studies how correlation, spin-orbit coupling and lattice structure combine to determine magnetic behaviour across oxides, halides and double perovskites.
Publications in this area
Physical Review B, 112, 054429 (2025)
Kumar S., Majumder S., Congiu F., Muscas G., Luetkens H., Kaushik S.D., Pandey S.K., Lee S.L., Deshpande U., Sarkar T. et al.
Computational Materials Science, 248, 113561 (2025)
Pandey S.K. et al.
Computational Materials Science, 221, 112090 (2023)
Gu Q., Pandey S.K.
Physical Review B, 105, 214422 (2022)
Pandey S.K., Nandy A.K., Kumari P., Mahadevan P.
Physical Review B, 103, 035137 (2021)
Zhou Z., Pandey S.K., Feng J.
Physical Review B, 104, 125110 (2021)
Pandey S.K., Kumar A., Sarkar S., Mahadevan P.
Physical Review B, 102, 245120 (2020)
Mahana S., Pandey S.K., Rakshit B., Nandi P., Basu R., Dhara S., Turchini S., Zema N., Manju U., Mahanti S.D., Topwal D.
Other research areas
Exploring spin-orbit assisted Mott insulators and 3d/4d/5d transition metal compounds as QSL candidates using ab initio and renormalization group methods.
Developing efficient deep learning-based tight-binding approaches with ab initio accuracy for billion-atom-scale electronic simulations at finite temperatures.
Investigating cuprate analogues like AgF₂ using random phase approximation and fluctuation exchange to identify high-Tc unconventional superconductors.
Studying displacive topological phase transitions and hidden-order phases in Weyl semimetals via first-principles and effective theory.
Combining deep learning tight-binding Hamiltonians with non-equilibrium Green’s functions to simulate quantum transport in 2D materials at scale.