National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [10325415, 50504017]; Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [07JJ3102]; Hunan Provincial Education DepartmentHunan Provincial Education Department [10C1171]; Science Development Foundation of Central South University [08SDF02, 09SDF09]
机构署名：
本校为其他机构
院系归属：
计算机科学与技术学院
摘要：
Using the first-principles study, we calculate the electronic band structure of metallic carbon nanotubes (MCNTs) with B/N co-doping. We show the formation energies which suggest that the B/N co-doping configuration is the energetically stable structure. We find that the electronic structure properties depend on the doping concentration of MCNTs, as well as the doping position. Energy gap opens rapidly when the symmetry breaking of MCNTs happens. These unconventional eloping effects could be used to design novel nanoele...
