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Defect compensation, clustering, and magnetism in Cr-doped anatase

✍ Scribed by Ye, Lin-Hui; Freeman, A. J.


Book ID
126546563
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
294 KB
Volume
73
Category
Article
ISSN
1098-0121

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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