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Cobalt in diamond: An ab initio investigation

✍ Scribed by Assali, L.V.C.; Machado, W.V.M.; Larico, R.; Justo, J.F.

Book ID
120980769
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
204 KB
Volume
16
Category
Article
ISSN
0925-9635

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## 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