The evolution of electronic and magnetic states for transition-metal rings embedded in carbon nanotubes

We investigate the electronic and magnetic states for various sizes of transition metal rings that have been substituted into carbon nanotubes. Using density functional theory, we examine the electronic density of states, magnetic moment, and total energy for various transition metal atoms and magnetic configurations. After determining the structural and magnetic ground states, we show how the introduction of these metal atoms affect the electronic states and determine the ground state magnetic configuration with a variation of transition metal atom and onsite potential. Future work will look into the use of these magnetic systems in a device application setting as we work towards possible spintronic applications.