Kajian Strktur Pita Elektronik Graphene dan Graphane menggunakan Model Ikatan Kuat Realistik dengan Ketakteraturan

Qosim, Muhammad, Santoso, Iman

2015 | Skripsi | FMIPA UGM

Two matrix models as a result of tight binding model modification to approach electronic band structure of graphene and graphane with its disorder has been constructed. Each model produces energy dispersion relation and density of states with several differences between them. On-site potential disorder vr in total model creates 0,3 to 0,5 eV band gap, did not happened in diagonal model of graphene. Randomized hopping parameter tr distributed equally to all sites did not shift Dirac point from Fermi level, but it changes the width of ? band energy ranges. Variations of hydrogen impurity concentration create band gap from 0,15 eV for 25% of hydrogen concentration to 2 eV for pure graphane total model, whereas in the diagonal model, there’s no gap ever found except for graphane with concentration near 100% and mid gap states for impured graphane.

Kata Kunci : graphene; graphane; tight binding model; numerical method, energy dispersion; density of states; band gap; mid gap states