Table 1 Bilayer models’ band minima energies, Fermi levels, and differences between band minima
From: Ab initio electronic properties of dual phosphorus monolayers in silicon
Model (type N ) | Band minima (at Γ, meV) | Differences (meV) | EF (meV) | ||||||
---|---|---|---|---|---|---|---|---|---|
Type 1 | Type 2 | ||||||||
1 | 2 | 3 | 4 | 2 -1 | 4 -3 | 3 -1 | 4 -2 | ||
A 80 | 397 | 397 | 515 | 515 | 0 | 0 | 119 | 119 | 720 |
A 60 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 720 |
A 40 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 721 |
A 16 | 403 | 421 | 524 | 533 | 18 | 9 | 121 | 112 | 758 |
A 8 | 377 | 417 | 498 | 605 | 40 | 107 | 122 | 188 | 761 |
A 4 | 323 | 371 | 615 | 652 | 48 | 37 | 291 | 281 | 771 |
B 80 | 396 | 396 | 515 | 515 | 0 | 0 | 119 | 119 | 720 |
B 60 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 720 |
B 40 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 721 |
B 16 | 410 | 410 | 522 | 532 | 0 | 10 | 112 | 122 | 758 |
B 8 | 374 | 460 | 505 | 604 | 86 | 99 | 131 | 144 | 765 |
B 4 | 340 | 357 | 602 | 649 | 17 | 47 | 262 | 292 | 772 |
C 80 | 396 | 397 | 515 | 515 | 0 | 0 | 119 | 119 | 720 |
C 60 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 720 |
C 40 | 397 | 397 | 516 | 516 | 0 | 0 | 119 | 119 | 721 |
C 16 | 411 | 414 | 524 | 535 | 3 | 11 | 113 | 121 | 758 |
C 8 | 375 | 438 | 488 | 591 | 62 | 103 | 112 | 153 | 758 |
C 4 | 180 | 413 | 608 | 710 | 233a | 102 | 428b | 299 | 774 |