Table 1 New p-type candidate oxides satisfying FEH > −1 eV. The optical band gap and hole effective mass are also provided. (m1, m2, m3) are effective masses along the principal axis and mavg is the harmonic average of them

From: Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor

Type

Name

FEH (eV)

Hole effective mass (m e )

Optical band gap (eV)

m avg

(m1, m2, m3)

Sn2+-bearing oxides

K2Sn2O3

0.20

0.32

(0.32, 0.32, 0.32)

1.89

Rb2Sn2O3

−0.17

0.28

(0.36, 0.25, 0.25)

1.66

SnSO4

−0.64

1.12

(0.67, 7.51, 0.94)

5.40

Sn4O2F4

−0.78

1.68

(2.23, 1.18, 2.04)

3.05

Cu1+-bearing oxides

CuLiO

0.89

2.76

(2.59, 2.59, 3.22)

3.10

CuNaO

0.08

9.01

(18.42, 18.41, 4.46)

2.96

BaCu2O2

−0.12

2.34

(4.96, 4.96, 1.14)

2.75

Cu2SO4

−0.29

3.78

(2.33, 4.43, 7.23)

3.19

Cu2NaO2

−0.51

2.19

(9.11, 156.7, 0.80)

2.83

CsCuO

−0.53

1.21

(7.68, 0.46, 5.54)

2.45

Cu3PO4

−0.56

3.50

(2.16, 17.67, 2.96)

2.55

Cu2LiO2

−0.62

2.06

(43.49, 1.40, 1.40)

2.79

CuKO

−0.66

5.73

(18.93, 18.93, 2.39)

2.99

CuRbO

−0.78

6.02

(2.03, 329.4, 329.3)

2.80

Cu3VO4

−0.79

2.55

(2.70, 2.52, 2.45)

2.01

Oxychalcogenides

La2O2Te

0.20

0.65

(1.05, 0.31, 2.25)

3.12

La4O4Se3

−0.42

0.29

(0.10, 488.0, 47.15)

1.68

Y2OS2

−0.87

1.41

(2.56, 0.82, 1.90)

3.67