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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 condition

Value

Crystal structure

\({\text {LiNbO}}_{3}\)

Debye–Waller parameters

uLi = 0.67 Å

uNb = 0.3924 Å

uO = 0.5 Å [40]

Lattice parameters

a = 5.172 Å

b = 5.172 Å

c = 13.867 Å [41]

Space group

161 (R3c) [42]

Zone axis

\({\left[ 1 {\bar{1}} 00 \right] }\)

Accelerating voltage

200 kV

Inner collection angle

0 mrad

Outer collection angle

15 mrad

Cells

\(\mathrm {1 \times 5}\)

Frozen phonons

10

Slices per unit cell

5

Probe semi-angle

28 mrad