Skip to main content
Account

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

  1. Bands are labelled counting upwards from the conduction band minimum, and the valence band maxima have been set to zero energy. aThis value is far more in keeping with the A4 and B4 band 3 - 1 differences, suggesting that the bands may have crossed. bThis value should be interpreted as belonging to the 2 -1 column in place of the value marked with a.

Navigation