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Unusual features of nitrogen substitutions in silicene

机译：硅氮氮取代的不寻常特征

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The quasiparticle properties resulting from charge and spin are clearly identified in nitrogen-substituted silicenes, for which a theoretical framework is successfully developed from first-principles calculations. Such systems create extremely non-uniform chemical and physical environments through the distribution of the guest atoms. They present unusual geometric, electronic, and magnetic properties, which can be identified from the optimal honeycomb lattices, the atom- and spin-dominated energy spectra, the spatial charge density distributions, and the atom-, orbital- and spin-projected van Hove singularities [the net magnetic moments]. The complicated relations between the highly hybridized sp ~(2) -N–Si bonds and the ferromagnetic/non-magnetic configurations are responsible for the p-type or semiconducting behavior, the significant modifications to the Dirac cone structures, the difficulty in identifying the π and σ bands, and the vanishing or finite magnetic moments. The theoretical predictions could be verified by high-resolution experimental measurements.
机译：用电荷和旋转产生的Quasiparticle属性在氮气取代的硅中清楚地鉴定，其中从第一原理计算成功开发了理论框架。这种系统通过观众原子的分布来创造极其不均匀的化学和物理环境。它们呈现出不寻常的几何，电子和磁性，可以从最佳蜂窝格，原子和旋转主导的能谱，空间电荷密度分布和原子，轨道和旋转投影的范索奇点[净磁性时刻]。高杂交的SP〜（2）-N-Si键和铁磁/非磁性配置之间的复杂关系负责p型或半导体行为，对Dirac锥结构的显着修改，难以识别π和σ带，以及消失或有限的磁矩。可以通过高分辨率实验测量来验证理论预测。

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