▎ 摘　　要

We report first-principles calculations on the electronic properties, spin magnetism, and potential applications of the functionalized hexagonal armchair graphene nanoflakes (GNFs). It is found that the gap of the GNF changes in an obvious oscillating manner with the size of its hexagonal defect (antidot), and when the antidot is large enough, it will lead to a prominent splitting of the alpha-spin and (beta-spin orbitals and the intriguing property of bipolar magnetic semiconductors for the GNF. And also shown is that the electronic structures of the GNF can be tuned from semiconducting to metallic properties by different edge modifications. More importantly, based on the suitable hexagonal defective GNFs, we design a field effect transistor (PET) and a bipolar field-effect spin-filtering (BFESF) device, and find that they all exhibit extremely high performances. For this PET, its ON/OFF ratio reaches similar to 10(5), subthreshold swing similar to 90 meV per decade, and the transconductance similar to 10(3) S/m, and for this BFESF device, the spin polarization nearly reaches 100% with different spin directions only by altering signs of gate voltages. (c) 2013 Elsevier Ltd. All rights reserved.