Intriguing electronic and magnetic properties of BN layer with noble metal (Pd, Pt, Ag and Au) doping are obtained by first-principles calculations. Adsorbed Pd (or Pt) reduces the band gap of BN sheet owing to the induction of impurity states. The unpaired electrons in the Ag (or Au)-adsorbed and the Pd (or Pt)-substituted BN layers are polarized, and thus exhibit a magnetic moment of 1.0 µB, leading to these BN configurations to be magnetic semiconductors. The half-metallic feature of the Ag-substituted BN layer, along with the delocalization of spin states, renders this configuration an excellent spin filter material. Thus, these findings offer a unique opportunity for developing BN-based nanoscale devices.
Revised: May 13, 2011 |
Published: April 18, 2011
Citation
Zhou Y., P. Yang, X. Sun, Z. Wang, X.T. Zu, and F. Gao. 2011.First-principles study of the noble metal-doped BN layer.Journal of Applied Physics 109, no. 8:Article No. 084308.PNNL-SA-78139.doi:10.1063/1.3569725