Interacting Electrons in Two-Dimensional Electride Ca2N

Dmitry Y. Novoselov, Dmitry M. Korotin, Alexey O. Shorikov, Vladimir I. Anisimov, Artem R. Oganov

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

We investigated the role of correlation effects in the formation of the spectral and magnetic properties of two-dimensional electride Ca2N. Using the combination of Density Functional Theory with Dynamical Mean-Field Theory (DFT+DMFT), we found that Coulomb interactions between the electrons of the electride states cause a strong renormalization and shift of the energy bands near the Fermi level. Besides, the electronic correlations lead to a competition between the Stoner-type ferromagnetic instability and the antiferromagnetic interactions of the localized moments. The observed patterns should be inherent to other isostructural electrides.

Original languageEnglish
Pages (from-to)15724-15729
Number of pages6
JournalJournal of Physical Chemistry C
Volume125
Issue number28
DOIs
Publication statusPublished - 22 Jul 2021

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