蒸发场的局部结构依赖性对场蒸发行为的影响
Effects of the local structure dependence of evaporation fields on field evaporation behavior
摘要：
精确的三维重建的原子位置，并充分量化的信息中所包含的原子探针断层扫描数据依赖于理解的物理过程中发生的原子从针形试样的场蒸发。然而，原子探针层析成像的建模框架充其量仍然是定性的。建立在以前开发的连续场模型，我们引入了一个更物理的方法与蒸发事件的选择密度泛函理论计算的基础上。这个新的模型再现了实验观察到的蒸发，解吸图和深度分辨率的顺序的关键功能，并提供了空间分辨率的物理限制的见解。
英文摘要：
Accurate three dimensional reconstructions of atomic positions, and full quantification of the information contained in atom probe tomography data relies on understanding the physical processes taking place during field evaporation of atoms from needle-shaped specimens. However, the modeling framework for atom probe tomography has remained qualitative at best. Building on the continuum field models previously developed, we introduce a more physical approach with the selection of evaporation events based on density functional theory calculations. This new model reproduces key features observed experimentally in terms of sequence of evaporation, desorption maps, and depth resolution, and provides insights into the physical limit for spatial resolution.
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