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arxiv: 1803.11336 · v1 · pith:CJHEVJMRnew · submitted 2018-03-30 · ❄️ cond-mat.mtrl-sci

Magnetism in amorphous carbon

classification ❄️ cond-mat.mtrl-sci
keywords carbonamorphousmagnetismatomsfoldconstrainedcoordinateddesired
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We investigate magnetism in amorphous carbon as suggested by the recently reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simulations to obtain amorphous carbon structures with the desired magnetization. We show that the existence of $sp^2$-like 3-fold coordinated carbon atoms plays an important role in obtaining magnetism in amorphous carbon. The detailed geometries of 3-fold carbon atoms induce the magnetic order in amorphous carbon.

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