Table 3 |
|||
| Lattice parameters: aexp obtained by Eq. (2) using experimental lattice parameters; atheor calculated from Eq. (2), but with optimized lattice parameters at the PAW/LDA level for Ge and GaAs; acalc the PAW/LDA optimized lattice parameters for models I, IIa, IIb, and III. (Italic is for values extrapolated as3√V.) | |||
| aexp | atheor | acalc (PAW/LDA) | |
| GaAs | 5.649a | 5.605 | |
| I | 5.651 | 5.607 | 5.621 |
| IIa | 5.653 | 5.609 | 5.625 |
| IIb | 5.641 | ||
| III | 5.655 | 5.610 | 5.624 |
| Ge | 5.660b | 5.610 | |
aFrom Ref. [51], b From Ref. [2]
Giorgi et al. Nanoscale Research Letters 2010 5:469 doi:10.1186/1556-276X-5-469
