Table 1 Lattice constant used in the DFT calculations

From: Structure-evolution-designed amorphous oxides for dielectric energy storage

 

Calculation

Experiment40,41,42,43

Monoclinic

a

5.11 Å

5.12 Å

b

5.15 Å

5.17 Å

c

5.29 Å

5.30 Å

β

99.65°

99.20°

Orthorhombic

a

5.24 Å

5.23 Å

b

5.01 Å

5.00 Å

c

5.05 Å

5.05 Å

Tetragonal

a

5.04 Å

5.15 Å

c

5.20 Å

5.29 Å

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