Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

Release Time:2025-04-30  Hits:

• Date:2025-04-30
• Title of Paper:Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness
• Journal:Phys. Chem. Chem. Phys.
• Summary:In this paper, the structural, electronic, and magnetic properties as well as the relative stabilities of fully
  and partially hydrogenated AlN nanosheets have been systematically investigated by first-principles
  calculations based on density functional theory. The results indicate that full hydrogenation is more
  energetically favorable for thinner AlN nanosheets, whereas semi-hydrogenation at N sites is preferred
  for thicker ones. Moreover, semiconductor - half-metal - metal transition with nonmagnetic -
  magnetic transfer can be achieved for AlN nanosheets by surface hydrogenation and increasing
  nanosheet thickness. The diverse electronic and magnetic properties highlight the potential applications
  of AlN nanosheets in electronics and spintronics
• Co-author:W. X. Zhang, T. Li, S. B. Gong, C. He*, L. Duana
• Volume:2015, 17, 10919
• Page Number:10919
• Translation or Not:No
• Date of Publication:2015-04-08