# Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene

Title | Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene |

Publication Type | Journal Article |

Year of Publication | 2013 |

Authors | Xie H, Lu WC, Zhang W, Qin PH, Wang CZ, Ho KM |

Journal Title | Chemical Physics Letters |

Volume | 572 |

Pages | 48-52 |

Date Published | 05 |

Type of Article | Article |

ISBN Number | 0009-2614 |

Accession Number | WOS:000319332600009 |

Keywords | augmented-wave method, basis-set, boron-nitride, graphane, graphite, metals, quantum dots, total-energy calculations |

Abstract | Triangular graphene nanoflakes (GNFs) embedded in fluorinated graphene are systematically investigated using first-principles density functional theory (DFT) calculations. The electronic and magnetic properties of such nanoflakes depend sensitively on the topology (armchair or zigzag) and the length of the edge of nanofakes. All embedded armchair triangular GNFs are semiconducting with size-dependent band gaps. The embedded zigzag triangular GNFs are magnetic with a ferrimagnetic ground state due to topological frustration of the pi bonds. The magnetic moment scales linear with the size of the triangular GNF. (C) 2013 Elsevier B.V. All rights reserved. |

URL | <Go to ISI>://WOS:000319332600009 |

DOI | 10.1016/j.cplett.2013.03.084 |