A DFT Study of Artificial Graphene
Dirac fermions have been a well discussed topic of condensed matter physics in the past decades. Graphene, surface state of topological insulators and many more candidate materials exist so far as a realization of Dirac fermions. In a recent experiment artificial molecular structures with CO molecules on Cu substrate [Nature 483, 306-310,2012] were constructed and a Dirac-like band structure was observed. In this project we are going to theoretically model the experiment and will look for the Dirac band structure using Density-functional theory. Subsequently, we are going to substitute the atoms with their periodic table counter parts in the same group (like Carbon replaced by Silicon, Cu by Ag and so on) and see how far we can move and still find the Dirac spectra. In these way, this project gives additional information on the molecular structures within the experiment and might lead to a predictive search for more candidate artificial structures for realizing the Dirac materials.