Quasigraphite: Density Functional Theory Based Predictions Of A Structure And Its Properties

摘要

Based on density-functional calculations, we propose a carbon-based nanostructure which we call quasigraphite phase. The quasigraphite phase resembles carbon nanotubes welded into planes, which are arranged similar to layers in graphite. It demonstrates a strong stability with respect to temperatures and external strain. The elastic and electronic properties of the proposed structure are discussed.