k -插层碳体系:尺寸和基质的影响

T. Kaloni, M. Upadhyay Kahaly, Y. Cheng, U. Schwingenschlögl
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引用次数: 26

摘要

采用密度泛函理论研究了k -插层碳体系的电子性质。杨氏模量表明插层增加了固有刚度。对于在SiC(0001)上嵌入k的双层石墨烯,保持了狄拉克锥,而三层结构在狄拉克点处表现出小的分裂。有趣的是,与许多其他插层碳体系相比,SiC(0001)衬底的存在并没有抑制载流子密度,而是提高了载流子密度。所有体系的载流子密度都相当高,双分子层载流子密度最高。独立的k嵌入双层石墨烯的能带结构和电子-声子耦合表明该体系具有高的超导性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
K-intercalated carbon systems: Effects of dimensionality and substrate
Density functional theory is employed to investigate the electronic properties of K-intercalated carbon systems. Young's modulus indicates that the intercalation increases the intrinsic stiffness. For K-intercalated bilayer graphene on SiC(0001) the Dirac cone is maintained, whereas a trilayer configuration exhibits a small splitting at the Dirac point. Interestingly, in contrast to many other intercalated carbon systems, the presence of the SiC(0001) substrate does not suppress but rather enhances the charge carrier density. Reasonably high values are found for all systems, the highest carrier density for the bilayer. The band structure and electron-phonon coupling of free-standing K-intercalated bilayer graphene points to a high probability for superconductivity in this system.
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