Physics – Condensed Matter – Materials Science
Scientific paper
2005-05-20
Phys. Rev. Lett. 95, 137205 (2005).
Physics
Condensed Matter
Materials Science
submitted to PRL; signs corrected in Eqs. (11), (12), (19), and (20)
Scientific paper
10.1103/PhysRevLett.95.137205
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.
Ceresoli Davide
Resta Raffaele
Thonhauser T.
Vanderbilt David
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