Phase diagram of the antiferromagnetic J1−J2 spin-1 pyrochlore Heisenberg model

Hagymási, Imre and Niggemann, Nils and Reuther, Johannes (2024) Phase diagram of the antiferromagnetic J1−J2 spin-1 pyrochlore Heisenberg model. PHYSICAL REVIEW B, 110 (22). No. 224416. ISSN 2469-9950

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Abstract

We study the phase diagram of the antiferromagnetic J1-J2 Heisenberg model on the pyrochlore lattice with S = 1 spins at zero and finite temperatures. We use a combination of complementary state-of-the-art quantum many-body approaches such as density matrix renormalization group (DMRG), density-matrix purification and pseudo-Majorana functional renormalization group (PMFRG). We present an efficient approach to preserve the applicability of the PMFRG for spin-1 systems at finite temperatures despite the inevitable presence of unphysical spin states. The good performance of our methods is first demonstrated for the nearest-neighbor pyrochlore Heisenberg model where the finite temperature behavior of the specific heat and uniform susceptibility show excellent agreement within PMFRG and density-matrix purification. Including an antiferromagnetic second neighbor coupling we find that the non-magnetic ground-state phase of the nearest neighbor model extents up to J2/J1 ∼ 0.02 within DMRG, beyond which magnetic k = 0 long-range order sets in. Our PMFRG calculations find the phase transition in a similar regime J2/J1 ∼ 0.035(8) which, together with the DMRG result, provides a strong argument for the existence of a small but finite non-magnetic ground-state phase in the spin-1 pyrochlore Heisenberg model. We also discuss the origin of discrepancies between different versions of the functional renormalization group concerning the location of this phase transition.

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