Table 1 Born effective charges (unit in e) in different compositions

From: Increased Curie temperature in lithium substituted ferroelectric niobate perovskite via soft polar mode enhancement

Compositions

K

Li

Nb

O||

O⊥

KNO

1.14

N/A

9.75

−7.42

−1.74

KLN125

1.14

1.25

9.66

−7.36

−1.69

KLN500

1.12

1.26

9.57

−7.34

−1.68

KLN875

1.14

1.25

9.48

−7.31

−1.67

LNO

N/A

1.25

9.46

−7.31

−1.70

  1. Please note that the charges are averaged overall present ions in the supercell of the same element.
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