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 | |