Orbital magnetization in periodic insulators.
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 bulklike 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.
Thonhauser
T
T
Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA.
Ceresoli
Davide
D
Vanderbilt
David
D
Resta
R
R