Cluster

Point group

Eb (eV)

ΔE (eV)

Ef (eV)

a0 (Å)

Nc

Si10

C3v

4.5339

1.8560

−4.6127

2.654

4.800

Si11-1

Cs

4.5002

1.4559

−4.1923

2.672

4.181

Si11-2

Cs

4.5003

1.1939

−4.1027

2.678

4.545

Si12

Cs

4.5451

1.7984

−3.9603

2.639

4.166

Si13-1

Cs

4.5389

1.2252

−4.4533

2.728

5.307

Si13-2

Cs

4.5302

0.7889

−4.6129

2.713

5.230

Si14-1

C2

4.6053

1.3604

−4.4018

2.572

4.00

Si14-2

C2

4.6049

1.4965

−4.3408

2.661

4.857

Si15

Cs

4.6115

1.6182

−4.3371

2.668

4.933

Si16

Cs

4.6075

1.0627

−4.5894

2.616

4.00

Si17

C1

4.6188

1.0629

−4.3741

2.743

5.294

Si18

C1

4.6298

0.7332

−4.4102

2.686

4.777

Si19

C1

4.6786

0.6473

−4.4547

2.640

4.315

Si20

Cs

4.6790

0.9187

−4.3728

2.582

3.800