AI 中文总结
本研究以绿柱石空腔内受限水分子为模型，通过密度矩阵重整化群计算，发现晶体场阻碍可促进偶极有序，为受限分子转子的铁电性及量子器件调控提供了依据。
AI 中文摘要
我们研究受六重格点势阻碍的偶极平面转子线性链的基态性质，该模型的提出源于被限制在绿柱石六方空腔中的水分子。采用密度矩阵重整化群（DMRG）计算，我们利用冯·诺依曼纠缠熵和极化的宾德比率，确定了无序相与铁电有序相之间的量子相变。对六重钉扎强度的扫描显示，阻碍作用增强会使临界偶极耦合gc向更小值移动。这些结果表明，晶体场阻碍能够促进而非抑制偶极有序。本研究对受限分子转子中的铁电性和量子器件调控具有启示意义。
英文摘要
We study the ground-state properties of linear chains of dipolar planar rotors hindered by a six-fold on-site potential, a model motivated by water molecules confined in the hexagonal cavities of beryl. Using density matrix renormalization group (DMRG) calculations, we locate the quantum phase transition between the disordered and ferroelectrically ordered phases using the von Neumann entanglement entropy and the Binder ratio of the polarization. A sweep of the six-fold pinning strength shows that increasing hindrance shifts the critical dipolar coupling gc to smaller values. These results suggest that crystal-field hindrance can promote, rather than suppress, dipolar ordering. This work has implications for ferroelectricity and quantum-device tuning in confined molecular rotors
