Table 1 Total energies of the CDW, FM and AFM structures relative to the NM structure.
From: Nature of the Insulating Ground State of the Two-Dimensional Sn Atom Lattice on SiC(0001)
| Â | CDW | FM | AFM |
|---|---|---|---|
LDA | −13.4 | −16.1 | −28.7 |
GGA | −19.0 | −61.8 | −69.3 |
hybrid DFT | −182.8 | −410.8 | −446.5 |
- The total energies (in meV per
unit cell) calculated using LDA, GGA and hybrid DFT.
unit cell) calculated using LDA, GGA and hybrid DFT.