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Ab initio modelling of band states in doped diamond

✍ Scribed by Barnard, A. S.; Russo, S. P.; Snook, I. K.

Book ID
111686976
Publisher
Taylor and Francis Group
Year
2003
Tongue
English
Weight
473 KB
Volume
83
Category
Article
ISSN
1478-6435

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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