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Nano Convergence

Table 1 Bulk lattice parameters ( a bulk , Å), lattice parameters along a NW axis ( a ∥ , Å), III–V interatomic distances in the bulk ( d I I I − V , Å), lengths of V–V ( d V − V , Å) and III–III ( d III−III , Å) dimers on {112} facets of a NW, charge transfer between atoms ( q b u l k , in units of the electron charge) in the bulk and in the III–III ( q III , in units of the electron charge) and V–V ( q V , in units of the electron charge) dimers on {112} facets of a NW

From: Role of edge facets on stability and electronic properties of III–V nanowires

 

GaP

GaAs

GaSb

InP

InAs

InSb

a bulk

5.419

5.623

6.067

5.871

6.063

6.468

a ∥

5.415

5.610

6.046

5.867

6.038

6.446

d I I I−V

2.35

2.43

2.63

2.54

2.63

2.80

d V−V

2.24

2.49

2.88

2.21

2.46

2.86

d I I I−I I I

2.44

2.45

2.46

2.76

2.78

2.79

q bulk

0.56

0.58

0.12

0.56

0.53

0.21

q III

0.47

0.38

0.20

0.45

0.39

0.25

q V

0.39

0.30

0.14

0.36

0.30

0.16

  1. The data presented are for NWs after full structural optimization which cross section with diameter of about 3 nm is depicted in Figure 1.
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