Abstract
Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride is a weak itinerant ferromagnet or is at least close to a ferromagnetic instability. The ferromagnetism is induced by the electride electrons, which are loosely bound around interstitial sites and overlap with each other to form two-dimensional interlayer conduction bands. The semimetallicity and two-dimensionality of the band structure are the keys to understanding this ferromagnetic instability.
- Received 6 July 2015
- Revised 22 October 2015
DOI:https://doi.org/10.1103/PhysRevB.92.201109
©2015 American Physical Society