Hidden order and multipolar exchange striction in a correlated <i>f</i> -electron system
Leonid V. Pourovskii, Sergii Khmelevskyi
Abstract
Significance Second-order phase transitions in solids occur due to spontaneous symmetry breaking with an order parameter continuously emerging from the disordered high-temperature phase. In some materials, the phase transitions are clearly detected in thermodynamic functions (e.g., specific heat), but the microscopic order parameters remain “hidden” from researchers, in some cases for decades. Here, we show how such hidden-order parameters can be unambiguously identified and the corresponding ordered phase fully described using a first-principles many-body linear response theory. Considering the canonical “hidden-order” system neptunium dioxide, we also identify an unconventional mechanism of spontaneous multipolar exchange striction that induces an anomalous volume contraction of the hidden-order phase in NpO 2 .