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, Gerstmann, Uwe, Seitsonen, Ari P., Mauri, Francesco
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2010
Online Access:http://hdl.handle.net/1721.1/56261
https://orcid.org/0000-0002-9831-0773

Internet

http://hdl.handle.net/1721.1/56261
https://orcid.org/0000-0002-9831-0773

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