论文标题

可切换电偶极子来自载体晶体中的北极星定位

Switchable Electric Dipole from Polaron Localization in Dielectric Crystals

论文作者

Morita, Kazuki, Kumagai, Yu, Oba, Fumiyasu, Walsh, Aron

论文摘要

晶体中的铁电性与极性单位的离子或旋转的位移有关。在这里,我们考虑供体掺杂($ d^+$)和相应的绑定极性($ e^ - $)创建的偶极子。预测,在贝里相分析的偶极子中,在$ {\ rm rm sr_3ti_2o_7} $的贝里相分析中,偶极子偶极子。形成了一个特征性的双孔电势,它持续使用高掺杂密度。有效的Hubbard $ U $相互作用可以改变从金属(二维极化子)到零维极化子的缺陷状态。此处报道的类似铁电的行为是局部的,并且与常规的自发晶格极化不同。

Ferroelectricity in crystals is associated with the displacement of ions or rotations of polar units. Here we consider the dipole created by donor doping ($D^+$) and the corresponding bound polaron ($e^-$).A dipole of 6.15 Debye is predicted, from Berry phase analysis, in the Ruddlesden-Popper phase of ${\rm Sr_3Ti_2O_7}$. A characteristic double-well potential is formed, which persists for high doping densities. The effective Hubbard $U$ interaction can vary the defect state from metallic, a two-dimensional polaron, through to a zero-dimensional polaron. The ferroelectric-like behavior reported here is localized and distinct from conventional spontaneous lattice polarization.

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