Abstract

We present a general formalism of multipole descriptions under the space-time inversion group. We elucidate that two types of atomic toroidal multipoles, i.e., electric and magnetic, are fundamental pieces to express electronic order parameters in addition to ordinary electric and magnetic multipoles. By deriving quantum-mechanical operators for both toroidal multipoles, we show that electric (magnetic) toroidal multipole higher than dipole (monopole) can become a primary order parameter in a hybridized-orbital system. We also demonstrate emergent cross-correlated couplings between electric, magnetic, and elastic degrees of freedom, such as magneto-electric and magneto(electro)-elastic couplings, under toroidal multipole orders.

Highlights

  • Mutual interplay between fundamental degrees of freedom of electrons in solids, i.e., charge, spin, and orbital, has attracted growing interest in various context

  • In d-electron systems, an atomic multipole has been extended to an object that is defined over a cluster consisting of several atomic sites; magnetic monopole excitations in spin ice5,6, magnetic octupole by noncollinear/noncoplanar magnetic structures7,8, nematic order in iron-based superconductors9,10, and spin chirality accompanying Berry phase11

  • The magnetic toroidal (MT) dipole has been extensively investigated due to its potential role for exotic phenomena, such as magneto-electric effect and nonreciprocal directional dichroism27–35. Such a MT dipole is often identified with a vortex-type magnetic orderings over several atomic sites

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Summary

Magnetic toroidal dipole in an s-p hybridized-orbital system

The Hamiltonian inducing the Tx order in an s-p hybridized-orbital system is given by. The Hamiltonian inducing the Tyz order in an s-d hybridized-orbital system is given by. The wave functions are shown in the lower panel of Fig. 2

Electric toroidal quadrupole in a p-d hybridized-orbital system
12 Appendix D
16 Appendix E

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