Table 2. PBE+D3+SOC Calculated Nonadiabatic Coupling (meV) of Relevant CBM and Valence Band States of 4Tm and PbI4 in (4Tm)2PbI4.
| coupling | CBM_PbI4/CBM_4Tm | VBM_PbI4/VBM-7_4Tm |
|---|---|---|
| 4Tm and PbI4 | 0.78 | 2.76 |
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