First-principles study of the noble metal-doped BN layer
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.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1013928
- Report Number(s):
- PNNL-SA-78139; 39891; KC0201020
- Journal Information:
- Journal of Applied Physics, 109(8):Article No. 084308, Journal Name: Journal of Applied Physics, 109(8):Article No. 084308 Journal Issue: 8 Vol. 109; ISSN JAPIAU; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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