Abstract Electronic and magnetic properties of CeN are investigated using first-principles calculations based on density functional theory (DFT) with the LDA+U method. Our results show that CeN is a half-metal. The majority-spin electron band structure has metallic intersections, whereas the minority-spin electron band structure has a semiconducting gap straddling the Fermi level. A small indirect energy gap occurs between X and W. The calculated magnetic moment is 0.99 μB per unit cell.
Hao Ai-Min (郝爱民), Bai Jing (白静) First-principles calculations of electronic and magnetic properties of CeN：The LDA+U method 2013 Chin. Phys. B 22 107102
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