Ab initio investigation of magnetism in
✍
Matej Komelj
📂
Article
📅
2011
🏛
John Wiley and Sons
🌐
English
⚖ 174 KB
## Abstract We constructed supercells for modeling diamond‐like carbon (DLC) structures and doped them with Cr atoms in order to investigate the presence of magnetism, which was recently observed experimentally. The total energies for the magnetic and non‐magnetic (NM) states were calculated __ab i