. 2023 Jul 12;8(29):26577–26589. doi: 10.1021/acsomega.3c03469

Table 5. Pressure-Dependent Direct and Indirect Energy Gaps Obtained for the Two Halide Double Perovskite Structures Using the Hybrid HSE06 Functional with Spin–Orbit Coupling (HSE06 + SOC).

pressure GPa	Cs₂AgBiBr₆		pressure GPa	Cs₂AgBiCl₆
pressure GPa	direct E_g (eV)	indirect E_g (eV)	pressure GPa	direct E_g (eV)	indirect E_g (eV)
10	1.897	1.047	20	2.048	1.224
20	1.736	0.788	40	1.762	0.748
30	1.571	0.556	50	1.623	0.544
40	1.424	0.361	60	1.486	0.355
50	1.294	0.181	80	1.220	0.011