Correlated interstitial subsystem
We analyse Coulomb interaction, hybridization and localization in the electronic states that form the electride subsystem.
Metal Optics Laboratory · M.N. Mikheev Institute of Metal Physics, UB RAS
We use advanced first-principles and many-body approaches to study how electrons in the voids, channels and layers of crystals determine the electronic, magnetic and quantum properties of electrides.
Research & results →Our focus
We analyse Coulomb interaction, hybridization and localization in the electronic states that form the electride subsystem.
We study how confined interstitial electrons acquire local moments, magnetic order and correlated quantum behaviour.
We investigate the consequences of confinement, pressure, layer number and interfaces for transport and magnetic phases.
Selected results
DFT+DMFT calculations show that weak Coulomb correlations are important for reproducing the sequence of high-pressure electride phases of elemental calcium.
Open →Pressure-driven changes of the interstitial electronic subspace are linked to localization, transport behaviour and volume collapse.
Open →Many-body calculations identify magnetic moments associated with interstitial quasi-atomic states rather than atoms of the crystal framework.
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