PHY 598 (Venables) Sect B2

Notes for PHY 598 Sect B2 (Venables)

Notes by John A. Venables. This table is in the course of construction. Latest version 7 January 97.

Table B2. Calculated Energies of Reconstucted Si and Ge(111) Surfaces (eV/ surface atom)

Reference

1x1 relaxed

2x1

cleaved

2x2

adatom

3x3

DAS

5x5

DAS

7x7

DAS

Si(111) Payne '87

1.15


1.04

0.88



Meade '89

1.39


1.12




Stich '92




1.196

1.168

1.153

Brommer '92


1.239




1.179

Ge(111) Meade '89

<1.40*


<1.20*




*The Ge calculations were not as well converged, and should probably be lower than the Si values.