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arxiv: cond-mat/0505518 · v2 · submitted 2005-05-20 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Orbital magnetization in periodic insulators

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords functionsmagnetizationperiodicwannierexpressionorbitalarisingassociated
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Working in the Wannier representation, we derive an expression for the orbital magnetization of a periodic insulator. The magnetization is shown to be comprised of two contributions, an obvious one associated with the internal circulation of bulk-like Wannier functions in the interior, and an unexpected one arising from net currents carried by Wannier functions near the surface. Each contribution can be expressed as a bulk property in terms of Bloch functions in a gauge-invariant way. Our expression is verified by comparing numerical tight-binding calculations for finite and periodic samples.

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