Table 1 Merits and problems of different theoretical approaches in reproducing the MIT in VO2
From: Recent progress in the phase-transition mechanism and modulation of vanadium dioxide materials
Criteria | |||||
|---|---|---|---|---|---|
1 | 2 | 3 | 4 | 5 | |
LDA | √ | − | − | √ | × |
LDA/GGA | × | × | × | √ | × |
LDA+U | − | × | × | × | √ |
DMFT | − | − | − | √ | √ |
DMFT+V | − | − | − | − | √ |
Cluster DMFT | − | − | − | √ | √ |
Model GW | − | − | − | − | √ |
GW | − | − | − | √ | × |
LDA+G0W0 | − | − | − | √ | × |
COHSEX+G0W0 | − | − | − | √ | √ |
HSE | − | − | − | √ | √ |
mBJLDA | √ | √ | √ | √ | √ |
