Binary compounds, fully B-/C-/N-substituted germanenes, exhibit the diversified phenomena through the different chemical bondings. The delicate first-principles calculations can present the buckling/planar honeycomb lattices, the atom-dominated band structures, the spatial charge densities, the spin density distributions, and the atom-, orbital- and spin-decomposed density of states, being very useful in determining the critical orbital hybridizations and magnetic configurations. The concise pictures, the strong competition between sp 2 and sp 3 bondings and the guest-dependent spin states, are responsible for the geometric symmetries, the metallic/wide-/narrow-gap behaviors, the modification/destruction of Dirac-cone structures, the non- or ferromagnetic properties; the crossings/anti-crossings of π and σ bands or the pure sp 3 energy bands.

中文翻译：

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硼，碳和氮取代的锗烯的丰富基本特性

二元化合物（完全被B- / C- / N取代的锗烯）通过不同的化学键表现出多种现象。精细的第一性原理计算可以呈现出屈曲/平面蜂窝晶格，原子为主的能带结构，空间电荷密度，自旋密度分布以及原子，轨道和自旋分解的状态密度，这非常有用确定关键的轨道杂交和磁构型。简洁的图片，sp 2和sp 3键之间的激烈竞争以及依赖于宾客的自旋态，负责几何对称，金属/宽/窄间隙行为，狄拉克锥结构的修饰/破坏，非磁性或铁磁性；π和σ带或纯sp 3能带的交叉/反交叉。