Magnetism in Au-Supported Planar Silicene

The adsorption and substitution of transition metal atoms (Fe and Co) on Au-supported planar silicene have been studied by means of first-principles density functional theory calculations. The structural, energetic and magnetic properties have been analyzed. Both dopants favor the same atomic config...

Full description

Saved in:
Bibliographic Details
Published in:Nanomaterials (Basel, Switzerland) Switzerland), 2021-09, Vol.11 (10), p.2568
Main Authors: Krawiec, Mariusz, Stępniak-Dybala, Agnieszka, Bobyk, Andrzej, Zdyb, Ryszard
Format: Article
Language:English
Subjects:
2D materials
Ab initio
Adsorbates
Adsorption
Antiferromagnetism
Charge transfer
Cobalt
Deformation
Density functional theory
Energy
Ferromagnetism
First principles
Gold
Graphene
Iron
Magnetic properties
Magnetism
Silicene
Substrates
Transition metals
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The adsorption and substitution of transition metal atoms (Fe and Co) on Au-supported planar silicene have been studied by means of first-principles density functional theory calculations. The structural, energetic and magnetic properties have been analyzed. Both dopants favor the same atomic configurations with rather strong binding energies and noticeable charge transfer. The adsorption of Fe and Co atoms do not alter the magnetic properties of Au-supported planar silicene, unless a full layer of adsorbate is completed. In the case of substituted system only Fe is able to produce magnetic ground state. The Fe-doped Au-supported planar silicene is a ferromagnetic structure with local antiferromagnetic ordering. The present study is the very first and promising attempt towards ferromagnetic epitaxial planar silicene and points to the importance of the substrate in structural and magnetic properties of silicene.
ISSN:2079-4991
2079-4991
DOI:10.3390/nano11102568