The three-dimensional distribution of oxygen atoms segregated at Σ9{114} grain boundaries (GBs) in Czochralski-grown silicon ingots is analyzed within a high spatial resolution of less than 0.5nm by atom probe tomography combined with a focused ion beam (FIB) operated at −150 C. The analysis reveals a segregation of oxygen atoms within a range of 2.5nm across the GB plane, which is much narrower in comparison with the previous reports obtained using a conventional FIB. The oxygen concentration profile accurately reflects the distribution of the segregation sites, which exist at bond-centered sites under tensile stresses above 2GPa, as calculated by ab initio local stress calculations.

通过原子探针断层扫描结合聚焦离子束 (FIB) 在小于 0.5 nm 的高空间分辨率内分析了在 Czochralski 生长的硅锭中 Σ9{114} 晶界 (GBs) 偏析的氧原子的三维分布在-150℃下操作。分析揭示了在GB平面上2.5nm范围内的氧原子的偏析，与使用传统FIB获得的先前报告相比要窄得多。氧浓度分布准确地反映了偏析位点的分布，这些偏析位点在超过 2GPa 的拉应力下存在于键中心位点，这是通过从头算局部应力计算得出的。