Emanuele
Panizon
a,
Jimena A.
Olmos-Asar
b,
Maria
Peressi
b and
Riccardo
Ferrando
*c
aPhysics Department, University of Genoa, Via Dodecaneso 33, 16146, Genoa, Italy
bDepartment of Physics, University of Trieste, Strada Costiera 11, 34151 Trieste, Italy
cPhysics Department, University of Genoa and CNR-IMEM, Via Dodecaneso 33, 16146, Genoa, Italy. E-mail: ferrando@fisica.unige.it
First published on 19th June 2015
Correction for ‘Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential’ by Emanuele Panizon et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c5cp00215j.
a (Å) | E c (eV) | B (GPa) | ΔEhcp–fcc (eV) | |
---|---|---|---|---|
Cu | 3.649 | −3.429 | 138.7 | 0.011 |
Ni | 3.518 | −4.931 | 206.6 | 0.031 |
p | q | A (eV) | ξ (eV) | |
---|---|---|---|---|
Cu–Cu | 10.653 | 2.49 | 0.092585 | 1.2437 |
Ni–Ni | 11.7 | 2.045 | 0.096444 | 1.6111 |
Cu–Ni | 11.1765 | 2.2675 | 0.1046 | 1.4453 |
E s Cu-impurity in Ni bulk | 0.194 eV | |||
E s Ni-impurity in Cu bulk | 0.113 eV |
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