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...

书目详细资料
Main Authors:	Ceresoli, Davide, Gerstmann, Uwe, Seitsonen, Ari P., Mauri, Francesco
其他作者:	Massachusetts Institute of Technology. Department of Materials Science and Engineering
格式:	文件
语言:	en_US
出版:	American Physical Society 2010
在线阅读:	http://hdl.handle.net/1721.1/56261 https://orcid.org/0000-0002-9831-0773

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