Quadrupole Orders on the fcc Lattice

TL;DR

This paper investigates electric quadrupole orders in f-electron systems on the fcc lattice, revealing a complex phase diagram with multiple antiferro phases and partial quadrupole order due to interactions and state couplings.

Contribution

It introduces a minimal model with isotropic and anisotropic interactions to analyze quadrupole orders and their phase diagram on the fcc lattice.

Findings

Identifies multiple antiferro quadrupole phases including two- and four-sublattice orders.

Shows coupling between quadrupoles and excited states influences phase stability.

Discovers partial quadrupole order at finite temperatures.

Abstract

We theoretically study electric quadrupole orders in f-electron systems on the fcc lattice. Qudrupole degrees of freedom $O_{20}$ and $O_{22}$ originate in the non-Kramers doublet ground state $\Gamma_3$ of ion with $f^2$ electron configuration. For discussing quadrupole orders, we use a minimal model with isotropic ($J$) and anisotropic ($K$) nearest-neighbor interactions, and determine the phase diagram using a four-site mean-field approximation at zero and finite temperatures. Quadrupoles couple the $\Gamma_3$ doublet to the singlet excited state $\Gamma_1$, and its effects on canting antiferro orders are examined in detail. We found that this coupling leads to a rich phase diagram including two- and four-sublattice antiferro phases, and that two phases show a partial order of quadrupoles at finite temperatures.