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Table 2 Valley splitting values of 1/4 ML P-doped silicon obtained using different techniques

From: Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon

Technique Number of Valley
  layers splitting
   (meV)
Planar Wannier orbitala[30] 1,000 20
Tight binding (4 K)b[34] 150 17
Tight binding (4 K)b[37] 120 25
Tight binding (300 K)b[36] 150 17
  40 7
  80 6
DFT, SZP basis set a[32] 120 6
  160 6
  200 6
DFT, SZP: ordered b[31] 40 120
DFT, SZP: random disorder b[31] 40 70
DFT, SZP: [110] direction alignment b[32] 40 270
DFT, SZP: dimers b[32] 40 85
DFT, SZP: random disorder b[32] 40 80
DFT, SZP: clusters b[32] 40 65
DFT, SZP: [100] direction alignment b[32] 40 50
DFT, SZP: ordered, M=4b,c[32] 80 153
DFT, SZP: ordered, M=6b,c[32] 80 147
DFT, SZP: ordered, M=10b,c[32] 80 147
  40 145.1
  60 144.7
SZP, M=9 (this work)b,c 80 144.8
  120 144.7
  160 144.7
  200 144.7
  16 118.6
  32 94.1
PW, M=9 (this work)b,d 40 93.5
  60 93.3
  80 93.2
  40 100
  60 99.5
DZP, M=9 (this work)b,c 80 99.5
  120 99.3
  160 99.6
  1. Techniques are grouped by similarity. aImplicit doping; bExplicit doping; cM × M × 1k-points; dM × M × N k-points; N as in Appendix 1.