文献类型：期刊文献

英文题名：Enhanced spin-orbit coupling in hydrogenated and fluorinated graphene

作者：Zhou, Jian[1,2,3];Liang, Qifeng[4];Dong, Jinming[1,3]

机构：[1]Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China;[2]Nanjing Univ, Dept Mat Sci & Engn, Nanjing 210093, Peoples R China;[3]Nanjing Univ, Natl Lab Solid State Microstruct, Grp Computat Condensed Matter Phys, Nanjing 210093, Peoples R China;[4]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China

年份：2010

卷号：48

期号：5

起止页码：1405

外文期刊名：CARBON

收录：SCI-EXPANDED(收录号：WOS:000275636000011)、、EI(收录号：20100612691003)、Scopus(收录号：2-s2.0-75749112822)、WOS

基金：This work was supported by the Natural Science Foundation of China under Grant No 10874067, and also from a Grant for State Key Program of China through Grant Nos 2004CB619004 and 2006CB921803

语种：英文

外文关键词：Atoms - Graphene - Hydrogenation

外文摘要：The spin-orbit couplings (SOCs) of hydrogenated and fluorinated graphenes are calculated by the first principles method it is found that the SOC-induced band splittings near their Fermi energies can be significantly increased to the order of 10(-2) eV from the order of 10(-6) eV in the pure graphene, which is comparable to those found in diamond and archetypal semiconductors Two different mechanisms are proposed to explain the SOC increases in these two systems The increases are found to come not only from the sp(3) hybridization of carbon atoms, but also from the intrinsic SOC of the fluorine atom, which is larger than that of the carbon atom (C) 2009 Elsevier Ltd All rights reserved