Numerical evidence of quantum melting of spin ice: quantum-classical crossover

Abstract

Unbiased quantum Monte-Carlo simulations are performed on the nearest-neighbor spin-$\frac{1}{2}$ pyrochlore XXZ model with an antiferromagnetic longitudinal and a weak ferromagnetic transverse exchange couplings, $J$ and $J_\perp$. The specific heat exhibits a broad peak at $T_{\mathrm{CSI}}\sim0.2J$ associated with a crossover to a classical Coulomb liquid regime showing a suppressed spin-ice monopole density, a broadened pinch-point singularity, and the Pauling entropy for $|J_\perp|\ll J$, as in classical spin ice. On further cooling, the entropy restarts decaying for $J_\perp>J_{\perp c}\sim-0.104J$, producing another broad specific heat peak for a crossover to a bosonic quantum Coulomb liquid, where the spin correlation contains both photon and quantum spin-ice monopole contributions. With negatively increasing $J_\perp$ across $J_{\perp c}$, a first-order thermal phase transition occurs from the quantum Coulomb liquid to an XY ferromagnet. Relevance to magnetic rare-earth pyrochlore oxides is discussed.