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Bibliographic Details
Main Authors: Nutakki, Rajah P., Vicentini, Filippo
Format: Preprint
Published: 2026
Subjects:
Online Access:https://arxiv.org/abs/2602.10008
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Table of Contents:
  • Simulating low-temperature properties of three-dimensional frustrated quantum magnets is challenging due to the sign problem and the system sizes required to mitigate substantial finite-size effects. However, there are many experimental examples of three-dimensional crystals that could host exotic low-temperature states of matter, such as quantum spin liquids. We calculate the ground-state phase diagrams of frustrated quantum spin models on the body-centered cubic lattice using neural quantum states. First, we study the antiferromagnetic $J_1-J_2$ model where we find a direct first-order phase transition between Néel and collinear long-range-ordered phases at $(J_2/J_1)_c = 0.705$, consistent with previous studies. Then, in a tetragonally-distorted variant, proposed as a minimal model of NaCa$_2$Cu$_2$(VO$_4$)$_3$, we find no evidence of a quantum paramagnetic ground state, with a first-order phase transition between Néel and chain phases at $(J_{2ab}/J_1)_c = 1.0375$. Therefore, the ground state of the tetragonally-distorted model does not reproduce the low-temperature magnetic properties of NaCa$_2$Cu$_2$(VO$_4$)$_3$, and the inclusion of other effects is necessary to rationalize experimental observations.