Concentration-Diversified Magnetic and Electronic Properties of Halogen-Adsorbed Silicene

Duy Khanh Nguyen, Ngoc Thanh Thuy Tran, Yu Huang Chiu, Ming Fa Lin

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19 Citations (Scopus)


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.

Original languageEnglish
Article number13746
JournalScientific reports
Issue number1
Publication statusPublished - 2019 Dec 1

All Science Journal Classification (ASJC) codes

  • General


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