Hypothetical P63/mmc-Type CsCrCl3 Ferromagnet: Half-Metallic Property and Nodal Surface State

This work focuses on the electronic, magnetic, and half-metallic behaviors and interesting surface state of a hypothetical CsCrCl3 ferromagnet with a P63/mmc space group, investigated using the spin-polarized generalized gradient approach (GGA) and spin-polarized GGA plus Hubbard U correction within...

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Bibliographic Details
Main Author: Yang Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-09-01
Series:Frontiers in Materials
Subjects:
DFT
Online Access:https://www.frontiersin.org/article/10.3389/fmats.2020.00262/full