Table 1 Calculated and experimental lattice parameters of β-Ga2O3.

From: Interaction between hydrogen and gallium vacancies in β-Ga2O3

Parameter

Our results

calculated

Ref.8

HSE06

Ref.21

B3LYP

Ref.22

GGA + U

Refs7,23,24

Experiment

a(Å)

12.34

12.25

12.34

12.55

12.23 ± 0.02

b(Å)

3.07

3.05

3.035

3.08

3.04

c(Å)

5.86

5.84

5.799

5.89

5.80

β(deg)

103.67

103.9

103.7

103.67

103.7, 103.83

Egd(eV)

4.86

4.87

4.69

4.92

4.9

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