Presentation Information
[3C16]Electronic properties of hetero-atom doped graphane
*Motoya Maeda1, Taichi Hazama1, Akira Sumiyoshi1, Ranferi Cancino Betancourt1, Shota Sato1, Jun Nakamura1 (1. The University of Electro-Communications)
Graphane, which possesses an sp3 skeleton, has been confirmed to be synthesized by completely hydrogenating the surface of graphene under hydrogen plasma. Graphane is theoretically predicted to have a band gap of approximately 3.5 eV (GGA-PBE). In this study, the thermodynamic stability and electronic properties of graphane doped with different elements were evaluated as a function of doping concentration.It is known that in the case of graphene, the formation energy of the system tends to increase with increasing concentration. However, unlike graphene, it was revealed that the formation energy of graphane remains almost constant regardless of the concentration.We will discuss fundamental semiconductor properties such as band gap, effective mass, and elastic constants. In addition to a discussion of why the formation energy is independent of dopant concentration.