Abstract

By analogy with graphane and fluorographene, a model of graphane-like h-AB–C compounds is proposed, in which atoms A and B occupy sites of a plane hexagonal lattice and C atoms bounded with atoms A and B are arranged by the opposite sides from the AB plane. Numerical estimations are performed for the h-A₃B₅–C₄ compounds, where atoms A, B, and C belong to the same series of the periodic table of elements. Analytical expressions have been obtained for the electronic spectrum, the quantum capacitance, the local defect states, the force constants, and the characteristic phonon frequencies.

中文翻译：

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石墨烯样h -AB–C化合物的模型

摘要

类似于石墨烯和氟石墨烯，提出了一种类似于石墨烯的h -AB–C化合物模型，其中原子A和B占据平面六边形晶格的位点，而与原子A和B结合的C原子排列在相对的两侧从AB飞机上 对h -A ₃ B ₅ -C ₄化合物进行了数值估计，其中原子A，B和C属于元素周期表的同一系列。已经获得了电子光谱，量子电容，局部缺陷状态，力常数和特征声子频率的解析表达式。