Data Underpinning: Coupled frustrated ferromagnetic and antiferromagnetic quantum spin chains in the quasi-one-dimensional mineral antlerite Cu₃⁢SO₄(OH)₄

Abstract of the published article: Magnetic frustration, the competition among exchange interactions, often leads to novel magnetic ground states with unique physical properties which can hinge on details of interactions that are otherwise difficult to observe. Such states are particularly interesting when it is possible to tune the balance among the interactions to access multiple types of magnetic order. We present antlerite Cu₃⁢SO₄⁢(OH)₄ as a potential platform for tuning frustration. Contrary to previous reports, the low-temperature magnetic state of its three-leg zigzag ladders is a quasi-one-dimensional analog of the magnetic state recently proposed to exhibit spinon-magnon mixing in botallackite. Density functional theory calculations indicate that antlerite's magnetic ground state is exquisitely sensitive to fine details of the atomic positions, with each chain independently on the cusp of a phase transition, indicating an excellent potential for tunability.

已发表论文的摘要：磁阻挫（Magnetic frustration）——即交换相互作用之间的竞争——往往会催生具有独特物理性质的新型磁基态，此类性质往往取决于那些原本难以观测到的相互作用细节。当能够调控相互作用间的平衡以实现多种磁有序类型时，这类磁态便会格外引人关注。我们选取块铜矾（antlerite，化学式Cu₃SO₄(OH)₄）作为调控磁阻挫的潜在平台。与此前的研究报道相悖，其三腿锯齿形磁梯结构的低温磁态，是近期在块羟铜矾（botallackite）中被提出的存在自旋子-磁振子混合现象的磁态的准一维类似物。密度泛函理论（Density Functional Theory）计算结果表明，块铜矾的磁基态对原子位置的细微变化极为敏感，每条磁链均独立处于相变的临界点附近，这显示其具备极佳的可调控性潜力。