SiC上石墨烯的第一性原理研究
材料科学
2009-11-13 v2
摘要
采用密度泛函计算，我们研究了Si端接和C端接的1x1-6H-SiC表面上的单层和双层石墨烯。我们表明，与早期假设相反，第一碳层与衬底共价键合，不能对实验观察到的石墨烯型电子谱负责。自由悬浮石墨烯的特征谱出现在第二碳层，该层与下层结构表现出弱的范德华键合。对于Si端接衬底，界面呈金属性，而在C面上，对于单层或双层石墨烯覆盖，界面分别呈半导体性或半金属性。
引用
@article{arxiv.0704.0216,
title = {Ab initio Study of Graphene on SiC},
author = {Alexander Mattausch and Oleg Pankratov},
journal= {arXiv preprint arXiv:0704.0216},
year = {2009}
}
评论
4 pages, 3 figures, 1 table; Submitted to Physical Review Letters on 01/08/07
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