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Table 1 Cutoff radius r c of the pseudoatomic orbitals and number of primitive orbitals for s-, p-, and d-orbitals (n s, n p, n d)

From: Spintronic Transport in Armchair Graphene Nanoribbon with Ferromagnetic Electrodes: Half-Metallic Properties

 

r c (a.u.)

n s

n p

n d

Ni

6.0

2

1

1

C

6.0

2

2

H

4.0

2

2

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