| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1546645 | Physica E: Low-dimensional Systems and Nanostructures | 2008 | 4 Pages |
Abstract
The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods applied to finite- as well as periodic simulation cells. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non-planar only for finite segments. Systems containing periodic arrays of vacancies display magnetic transitions and metal–insulator transitions.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
M.W.C. Dharma-wardana, Marek Z. Zgierski,