First-principles theory of orbital magnetization

First-principles theory of orbital magnetization

Within density-functional theory we compute the orbital magnetization for periodic systems evaluating a recently discovered Berry-phase formula. For the ferromagnetic metals Fe, Co, and Ni we explicitly calculate the contribution of the interstitial regions neglected so far in literature. We also us...

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Bibliographic Details
Main Authors: Ceresoli, Davide (Contributor), Gerstmann, Uwe (Author), Seitsonen, Ari P. (Author), Mauri, Francesco (Author)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2010-07-12T18:12:54Z.
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