Band gap engineering of bulk and nanosheet SnO: an insight into the interlayer Sn-Sn lone pair interactions.

@article{Zhou2015BandGE,
  title={Band gap engineering of bulk and nanosheet SnO: an insight into the interlayer Sn-Sn lone pair interactions.},
  author={Wei Zhou and Naoto Umezawa},
  journal={Physical chemistry chemical physics : PCCP},
  year={2015},
  volume={17 27},
  pages={
          17816-20
        }
}
  • Wei Zhou, N. Umezawa
  • Published 1 July 2015
  • Materials Science
  • Physical chemistry chemical physics : PCCP
The effects of interlayer lone-pair interactions on the electronic structure of SnO are explored using density-functional theory. Our comprehensive study reveals that the band gap of SnO opens with the increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consist of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the… 
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