Journal
APPLIED PHYSICS LETTERS
Volume 97, Issue 12, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3491416
Keywords
adsorption; bonds (chemical); boron compounds; Curie temperature; density functional theory; ferromagnetic materials; fluorine; III-V semiconductors; II-VI semiconductors; magnetic moments; magnetic semiconductors; wide band gap semiconductors; zinc compounds
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Funding
- U.S. DOE [DE-FG02-86ER45259]
- NERSC Center
- HPC Center of NCSU
- National Natural Science Foundation of China [50121202, 20533030, 10474087]
- National Key Basic Research Program [2006CB922004]
- USTC-HP HPC
- SCCAS and Shanghai Supercomputer Center
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On the basis of density functional calculations we explored the possibility that BN and ZnO single layers can become ferromagnetic at room temperature and half-metallic upon fluorine adsorption. Fluorine atoms form stable bonds only with the B and Zn atoms on the graphenelike BN and ZnO single layers, respectively, and the resulting fluorinated BN and ZnO single layers are expected to become ferromagnetic half metals with Curie temperatures around room temperature. The fluorination of semiconductor single layers can lead to interesting spintronics and functional applications. (C) 2010 American Institute of Physics. [doi:10.1063/1.3491416]
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