In Honor of Nobel Laureate Dr. Aaron Ciechanover
In this work, a new kind of fullerene solid is constructed using carbon cluster C50 with D5h symmetry. It is found that this solid is softer than the diamond through the comparision of bulk modulus. This new type of semiconductor has the indirect band gap of 0.338 eV. The stability of this solid is further confirmed by the phonon spectra calculation, which indicates that it is a new metastable configuration of carbon. After doping nitrogen atoms into this stable solid, we find that the N-doped system still remains to be the semiconductor, the band gap of which increases to 0.469 eV. The formation energy of the N-doped system is -1.090 eV/cage. Moreover, the lattice parameters of this N-doped system differ little from those of the undoped C50 system, which means that the doped system and the undoped C50 system can connect along some crystal orientations, forming the semiconductor heterojunction.
