Russian Science Foundation project No. 25-23-00341
Metal Optics Laboratory · M.N. Mikheev Institute of Metal Physics, UB RAS
Official project record ↗The project searches for monolayer, bilayer and heterolayer electrenes derived from two-dimensional electrides and develops quantum-mechanical approaches for their reliable description. The planned work includes stability and electronic structure, local and interstitial Coulomb interaction, and response to doping, strain and layer stacking.
The official RSF project record reports dynamically stable mono- and bilayer XF (X = Ca, Sr, Ba) structures; a predicted ferromagnetic state in monolayer BaF; and a comparison of DFT+U+V with DFT+DMFT for Li₈Au. It attributes the BaF magnetism to interstitial electrons and identifies the cation orbital composition as a control parameter.
Studies of BaF bilayers and XF van der Waals heterostructures show how interlayer confinement and interface charge transfer can favor antiferromagnetic ordering. The calculations also reveal correlation-driven spectral-weight redistribution and a tendency toward a Mott metal–insulator transition in the relevant interstitial subsystem.
Russian Science Foundation project No. 25-23-00341
Dmitry Y. Novoselov, Zaur Z. Isaev, Mary A. Mazannikova
Journal of Physics and Chemistry of Solids 219, 114088
Dmitry Y. Novoselov, Zaur Z. Isaev
Physical Review Materials 10, 074004
Dmitry Y. Novoselov
Physical Review B 112, 245112
D. Y. Novoselov, M. A. Mazannikova
Journal of Physics and Chemistry of Solids 205, 112772
Scientific claims on this site are drawn from the listed publications and the official RSF project record. Predictions, computed results and experimentally established observations are distinguished in the relevant context.