Table 1 Parameters q1, q2, q3 and q4 in Eq. (1) obtained by fitting the equation to the calculated energies of the lowest conduction band and the highest valence band of the [001]-oriented GaP nanowires with a square cross section (labeled by subscript “squ”) and with a rectangular cross section (labeled by subscript “rec”) and the [111]-oriented GaP nanowires with a hexagonal cross section (labeled by subscript “hex”).
Nanowire | Band shift | q 1 | q 2 | q 3 | q 4 |
|---|---|---|---|---|---|
type | (eV) | (eV−1 nm−2) | (eV−1 nm−1) | (eV−1) | (eV) |
[001]squ | ΔEc | 2.92638 | 1.03589 | 1.50493 | |
[001]squ | ΔEv | −0.45261 | −0.89274 | −0.09389 | |
[001]rec | ΔEc | 6.18442 | 0.44825 | 3.06074 | 0.00133 |
[001]rec | ΔEv | −0.50271 | 2.13146 | −47.43079 | −0.00323 |
[111]hex | ΔEc | 1.36955 | 1.4002 | 1.19828 | |
[111]hex | ΔEv | −0.33118 | −2.07445 | 0.49631 |
