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Ab initio study of formation energy and magnetism of sigma phase in Cr–Fe and Cr–Co systems

✍ Scribed by J. Pavlů; J. Vřešťál; M. Šob

Book ID
116574701
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
571 KB
Volume
18
Category
Article
ISSN
0966-9795

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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