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The total energy difference between ferromagnetic and antiferromagnetic configurations vs Cr–Cr distance in the unit cell.
Magnetic local moment of Cr vs Cr–Cr distances .
The total DOS of supercell for majority spin (top) and minority spin (bottom). The Fermi level is set at zero.
The partial PDOS of Cr (straight lines) and the neighboring N (dot line) states. The Fermi level is set at zero.
Partial charge density plot for majority spin close to the Fermi level.
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