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arXiv 2602.14920cond-mat.mtrl-sciphysics.chem-ph
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亚埃分辨率成像揭示了由基底堆垛缺陷引起的冰Ih相衬转变

Sub-1-Angstrom-Resolution Imaging Reveals Phase Contrast Transition in Ice Ih Caused by Basal Stacking Faults

Pacific Northwest National Laboratory(太平洋西北国家实验室);Argonne National Laboratory(阿贡国家实验室);University of Washington(华盛顿大学);University of Illinois, Chicago(伊利诺伊大学芝加哥分校)

Jingshan S. Du, Suvo Banik, Lehan Yao, Shuai Zhang, Subramanian K. R. S. Sankaranarayanan, James J. De Yoreo

AI总结:

亚埃分辨率成像揭示基底堆垛缺陷导致冰Ih相衬转变,展现冰相结构关系及分子排列缺陷容忍度。

摘要:

六方冰(Ih)沿[0001]方向的相衬透射电子显微镜(TEM)有时会显示蜂窝状图案,通常被解释为单晶体中的单个氧柱。在这里,我们表明这种图案通常源于内在的基底堆垛缺陷。一个将厚度相近的域分开的翻译边界,具有平面内偏移量((2/3 a₁ + 1/3 a₂)),产生这种蜂窝状对比。在非等价方向上翻译的堆垛域会产生沿[111]方向类似于立方冰(Ic)但具有三重对称性的图案。我们以创纪录的线分辨率89皮米对这种结构进行了成像,比O-H共价键长更精细。这些发现突显了冰分子排列的缺陷容忍度,并澄清了六方、堆垛无序和立方冰相之间的结构关系。这一分辨率里程碑为表征固态水的细微结构扰动开辟了新途径。

英文摘要:

Phase-contrast transmission electron microscopy (TEM) of hexagonal ice (Ih) along [0001] sometimes shows a honeycomb-like pattern, often interpreted as individual oxygen columns in single crystals. Here, we show that this pattern commonly arises from intrinsic basal stacking faults instead. A translational boundary separating domains of comparable thickness, with an in-plane offset of $(\frac{2}{3} a_{1} + \frac{1}{3} a_{2})$, produces this honeycomb-like contrast. Stacking domains translated in nonequivalent directions yields patterns resembling cubic ice (Ic) along [111] but with a 3-fold symmetry. We imaged this structure at a record-breaking line resolution of 89 picometers, finer than the O-H covalent bond length. These findings highlight the defect tolerance of ice's molecular packing and clarify the structural relationships among hexagonal, stacking-disordered, and cubic ice phases. This resolution milestone opens new avenues for characterizing subtle structural perturbations of water in the solid state.

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。

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