Table 2 Comparison to experimental data.
From: Computational screening of materials with extreme gap deformation potentials
Material | ID | \({\widetilde{\Xi }}_{{{{\rm{gap}}}}}\) (eV) | Exp. (eV) |
|---|---|---|---|
GaP | mp-2490 | −0.72 (−8.18) | – (−9.9) |
GaAs | mp-2534 | −7.30 | −8.5 |
InP | mp-20351 | −5.42 | −6.4 |
ZnS | mp-10695 | −4.37 | −4.0 |
ZnSe | mp-1190 | −3.98 | −5.4 |
CdTe | mp-406 | −2.97 | −3.4 |
CdS | mp-2469 | −2.23 | −3.1 |
CdSe | mp-2691 | −2.08 | −3.0 |
AlN | mp-661 | −8.98 | −7.1/−9.5 |
