Table 3 The Eg and ΔEg values of the studied perovskites using the HSE06 method compared with similar published perovskites.
Perovskite | Eg | ΔEg | Eg type | Ref | Perovskite | Eg | Method | Eg type | Refs. |
|---|---|---|---|---|---|---|---|---|---|
LiSiSe3 | 1.69 | 0.405 | Indirect | This work | (CH3NH3)PbI3 | 1.6 | Exp. | Indirect | |
NaSiSe3 | 2.15 | 0.493 | Indirect | This work | (C6H5NH3)BiI4 | 2.14 | Exp. | Direct | |
KSiSe3 | 2.01 | 0.228 | Indirect | This work | YMnO3 | 1.35 | Exp. | Direct | |
RbSiSe3 | 2.18 | 0.317 | Indirect | This work | CaSnS3 | 1.40 | HSE06 | Direct | |
CsSiSe3 | 2.33 | 0.265 | Indirect | This work | BaHfS3 | 1.97 | HSE06 | Direct | |
LiGeS3 | 1.10 | 0.237 | Indirect | This work | CaHfS3 | 2.23 | HSE06 | Direct | |
NaGeSe3 | 1.45 | 0.189 | Indirect | This work | SrHfS3 | 2.32 | HSE06 | Direct | |
KGeSe3 | 1.78 | 0.311 | Indirect | This work | Ba2CdS3 | 2.56 | HSE06 | Direct | |
RbGeSe3 | 1.32 | 0.418 | Indirect | This work | Ba2CdSe3 | 2.16 | HSE06 | Direct | |
CsGeSe3 | 2.21 | 0.331 | Indirect | This work | Ba2CdTe3 | 3.16 | HSE06 | Direct | |
LiSnS3 | 1.55 | 0.371 | Indirect | This work | Ba6CS4 | 1.554 | HSE06 | Direct | |
NaSnSe3 | 1.63 | 0.288 | Indirect | This work | Ba6CSe4 | 1.311 | HSE06 | Direct | |
KSnSe3 | 2.06 | 0.149 | Indirect | This work | Ba6CTe4 | 1.517 | HSE06 | Direct | |
RbSnSe3 | 2.11 | 0.278 | Indirect | This work | SrZrS3 | 2.009 | TB-mBJ | Direct | |
CsSnSe3 | 2.27 | 0.352 | Indirect | This work | SrZrSe3 | 1.096 | TB-mBJ | Direct | |
BaZrS3 | 1.770 | TB-mBJ | Direct | ||||||
BaZrSe3 | 1.250 | TB-mBJ | Direct |
