通过'相互作用退火'确定有效的量子化价和轨道结构：以WTe₂中的铁轨道序为例
`Interaction annealing' to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe$_2$
AI总结：
通过'相互作用退火'方法，研究WTe₂中铁轨道序的量子化结构，揭示新兴本地电子结构并解释实验观测。
摘要：
关联材料在低能下表现出质性不同的涌现行为。方便的是，当吸收快速量子涨落时，这些丰富的低能行为总能通过具有完全量化电荷、自旋和轨道结构的 dressed 粒子有效描述。然而，这种强大而简单的描述难以通过大多数多体计算中使用的裸粒子访问，尤其是在涨落强如4d和5d化合物时。为了解开主导的量子化结构，我们提出了一种易于实现的'相互作用退火'方法，该方法通过增强离子充电能来抑制电荷涨落。我们使用精确处理的两个站点Hubbard模型作为通用例子来建立其理论基础。然后，我们通过更经济的密度泛函计算将其应用于代表性的3d莫特绝缘体La₂CuO₄和高波动的5d半金属WTe₂。在后者中，它揭示了新兴的本地电子结构，使对几个实验观测的前所未有的解释成为可能。最后，我们展示了该方法在研究功能材料中竞争的本地电子结构中的有效性。
英文摘要：
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed particles with fully quantized charge, spin, and orbital structure. Such a powerful and simple description is, however, difficult to access through bare particles used in most many-body computations, especially when fluctuations are strong such as in $4d$ and $5d$ compounds. To decipher the dominant quantized structure, we propose an easy-to-implement `interaction annealing' approach that utilizes suppressed charge fluctuation through enhancing ionic charging energy. We establish its theoretical foundation using an exactly treated two-site Hubbard model as a generic example. We then demonstrate its applications with more affordable density functional calculations to a representative $3d$ Mott insulator La${_2}$CuO${_4}$ and a highly fluctuating $5d$ semi-metal WTe${_2}$. In the latter, it reveals an emergent local electronic structure that makes possible an unprecedented explanation of several experimental observations. Finally, we demonstrate the effectiveness of this approach in studying competing local electronic structures in functional materials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
