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The article investigates the structural and electronic properties of phosphorene with double vacancies using Density Functional Theory (DFT) calculations. It finds that the formation energy of the DV(5|8|5)-1 structure is more favorable than DV(5|8|5)-2, with band gaps of 1.01 eV and 0.1 eV respectively for the defected structures, while pristine phosphorene has a band gap of 0.86 eV. The study concludes that vacancies alone do not induce magnetic properties in phosphorene.
- Author
- Hiepgavuive
- Language
- EN