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Published on: October 5, 2013
Potential room temperature ferromagnetic O/BN and F/BN bilayers
Jeonghwa Yang1, Dongyoo Kim, Jisang Hong
1Department of Physics, Pukyong National University, Busan 608-737, Korea.
Summary
This study explores magnetic properties of hexagonal boron nitride (h-BN) with oxygen and fluorine adlayers. Both systems exhibit ferromagnetic ground states, with O/BN potentially showing ferromagnetism beyond room temperature.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Surface Science
Background:
- Hexagonal boron nitride (h-BN) is a 2D material with unique electronic properties.
- Investigating magnetic properties of 2D materials is crucial for spintronics.
- Surface functionalization can tune material properties.
Purpose of the Study:
- To investigate the magnetic properties of hexagonal boron nitride (h-BN) monolayer.
- To explore the effects of oxygen (O) and fluorine (F) adlayers on h-BN magnetism.
- To compare computational results with existing literature.
Main Methods:
- Full potential linearized augmented plane wave (FP-LAPW) method.
- Adsorption energy calculations for stable structures.
- Magnetic moment and electronic band structure calculations.
- Mean-field theory for Curie temperature estimation.
Main Results:
- Both F/BN and O/BN systems exhibit ferromagnetic ground states.
- F/BN shows magnetic moments of 0.18 μ(B) for F and 0.44 μ(B) for N, with near half-metallic band structure.
- O/BN shows magnetic moments of 0.91 μ(B) for O and 0.4 μ(B) for N, with a metallic band structure.
- Estimated Curie temperature for O/BN is ~185 K, with potential for ferromagnetism beyond room temperature.
Conclusions:
- Oxygen and fluorine adlayers induce ferromagnetic ground states in h-BN.
- F/BN approaches half-metallicity, distinct from previous studies.
- O/BN demonstrates significant magnetic moments and potential for high-temperature ferromagnetism.
- Calculated x-ray absorption spectroscopy and x-ray magnetic circular dichroism data are presented.
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