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Table 1 BF-STEM simulation conditions in MacTempasX

From: mpfit: a robust method for fitting atomic resolution images with multiple Gaussian peaks

Experimental conditionValue
Crystal structure\({\text {LiNbO}}_{3}\)
Debye–Waller parametersuLi = 0.67 Å
uNb = 0.3924 Å
uO = 0.5 Å [40]
Lattice parametersa = 5.172 Å
b = 5.172 Å
c = 13.867 Å [41]
Space group161 (R3c) [42]
Zone axis\({\left[ 1 {\bar{1}} 00 \right] }\)
Accelerating voltage200 kV
Inner collection angle0 mrad
Outer collection angle15 mrad
Cells\(\mathrm {1 \times 5}\)
Frozen phonons10
Slices per unit cell5
Probe semi-angle28 mrad