Kitaev自旋液体候选体H $_{3}$ LiIr $_{2}$ O $_{6}$中可能的量子顺电态
Possible Quantum Paraelectric State in Kitaev Spin Liquid Candidate H$_{3}$LiIr$_{2}$O$_{6}$
摘要：
最近合成了一种新的量子自旋液体（QSL）候选材料H $_{3}$ LiIr $_{2}$ O $_{6}$，发现它在低温下没有任何磁有序或相变。在这项工作中，我们研究了氢离子的量子动力学，即，质子，在这种材料中通过结合第一性原理计算和理论分析。我们表明，每个质子和它的相邻的氧离子形成一个电偶极子。偶极相互作用和质子隧穿被捕获的横向场伊辛模型与量子无序顺电基态。偶极激发具有能隙$Δ_{\mathrm{d}}\simeq 60$ meV，并且可以通过红外光谱和介电响应来探测。我们认为电偶极涨落重整化了H $_{3}$ LiIr $_{2}$ O $_{6}$中的磁相互作用，并导致了Kitaev QSL态.
英文摘要：
A new quantum spin liquid (QSL) candidate material H$_{3}$LiIr$_{2}$O$_{6}$ was synthesized recently and was found not to show any magnetic order or phase transition down to low temperatures. In this work, we study the quantum dynamics of the hydrogen ions, i.e., protons, in this material by combining first-principles calculations and theoretical analysis. We show that each proton and its adjacent oxygen ions form an electric dipole. The dipole interactions and the proton tunneling are captured by a transverse-field Ising model with a quantum disordered paraelectric ground state. The dipole excitations have an energy gap $Δ_{\mathrm{d}}\simeq 60$ meV, and can be probed by the infrared optical spectroscopy and the dielectric response. We argue that the electric dipole fluctuations renormalize the magnetic interactions in H$_{3}$LiIr$_{2}$O$_{6}$ and lead to a Kitaev QSL state.
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