Computational studies of layered trititanates with magnetic doping*

Layered titanate nanostructures are of great interest due to their ease of synthesis, modifiability, and variety in application. A profusion of experimental literature exists for these compounds but existing computational work has been limited in both quantity and scope. We examine hydrogen trititanate (H$_{2}$Ti$_{3}$O$_{7}$) with and without magnetic substitutional doping. Band structure, elastic properties, material stability, and magnetic properties of these titanates will be discussed.