Abstract：
:Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principle theoretical framework, including the adatom-diversified geometric structures, atom-dominated energy bands, spatial spin density distributions, spatial charge density distributions and its variations, and orbital-projected density of states. Also, such physical quantities are sufficient to identify similar and different features in the double-side and single-side adsorptions. The former belongs to the concentration-depended finite gap semiconductors or p-type metals, while the latter display the valence energy bands with/without spin-splitting intersecting with the Fermi level. Both adsorption types show the halogen-related weakly dispersed bands at deep energies, the adatom-modified middle-energy σ bands, and the recovery of low-energy π bands during the decrease of the halogen concentrations. Such feature-rich band structures can be verified by the angle-resolved photoemission spectroscopy experiment.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Nguyen DK,Tran NTT,Chiu YH,Lin MFdoi
10.1038/s41598-019-50233-wsubject
Has Abstractpub_date
2019-09-24 00:00:00pages
13746issue
1issn
2045-2322pii
10.1038/s41598-019-50233-wjournal_volume
9pub_type
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