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Related Experiment Videos

Orbital magnetization in extended systems.

R Resta1, Davide Ceresoli, T Thonhauser

  • 1INFM Democritos National Simulation Center and Dipartimento di Fisica Teorica, Università di Trieste, Strada Costiera 11, 34014 Trieste, Italy.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|August 9, 2005
PubMed
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This study develops a bulk expression for orbital magnetization in insulators, analogous to the modern theory of electric polarization. It addresses challenges in defining magnetic properties in the thermodynamic limit for materials with broken time-reversal symmetry.

Area of Science:

  • Condensed Matter Physics
  • Quantum Mechanics
  • Materials Science

Background:

  • Orbital magnetic dipole moment is ill-defined in the thermodynamic limit due to the unbounded position operator.
  • Surface and bulk magnetic effects are difficult to separate, similar to entangled surface charges and bulk polarization in electric systems.
  • The modern theory of electric polarization, using Berry phase, previously resolved a similar entanglement problem.

Purpose of the Study:

  • To develop a bulk expression for orbital magnetization in insulators with broken time-reversal symmetry.
  • To adapt the successful approach of the modern theory of electric polarization to orbital magnetism.
  • To derive a gauge-invariant expression for orbital magnetization applicable to bulk materials.

Main Methods:

Related Experiment Videos

  • Formulation of a bulk expression for orbital magnetization using lattice-periodic Hamiltonians.
  • Derivation of magnetization contribution from bulk Wannier function currents.
  • Transformation to a Brillouin zone integral of occupied Bloch orbitals and a discretized reciprocal space version.
  • Main Results:

    • A gauge-invariant bulk expression for orbital magnetization is derived for insulators with broken time-reversal symmetry.
    • The derived expression is suitable for implementation in discretized reciprocal space.
    • Tests on a tight-binding model revealed potential edge currents not fully explained by the bulk band structure.

    Conclusions:

    • The study successfully adapted the Berry phase approach to derive a bulk expression for orbital magnetization.
    • The derived formula provides a method to calculate orbital magnetization from bulk band structure properties.
    • Further investigation is needed to reconcile observed edge currents with the bulk band structure theory.