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arXiv 2211.14765cond-mat.mtrl-sci
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基于第一性原理计算的磁性类石墨烯氮化钴CoN4monolayer制备方案

A Scheme to fabricate magnetic graphene-like cobalt nitride CoN4monolayer proposed by first-principles calculations

Ming Yan, Shuo Zhang, Yanyun Wang, Fengjie Ma

摘要:

我们提出了一个方案来制造氮化钴CoN4单层,磁性石墨烯类二维材料,其中所有的Co和N原子在一个平面。在40 GPa以上的压力下,体相CoN 4稳定在三斜相。随着压力的降低,CoN4的三斜相转变为斜方相,斜方相为层间距较大的层状化合物。在室温条件下,弱层间耦合很小,可以用机械方法剥离单层CoN4。

英文摘要:

We propose a scheme to fabricate the cobalt nitride CoN4 monolayer, a magnetic graphene-like two-dimensional material, in which all Co and N atoms are in a plane. Under the pressure above 40 GPa, the bulk CoN4 is stabilized in a triclinic phase. With the pressure decreasing, the triclinic phase of CoN4 is transformed into an orthorhombic phase, and the latter is a layered compound with large interlayer spacing. At ambient condition, the weak interlayer couplings are so small that single CoN4 layer can be exfoliated by the mechanical method.

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