T. Tanabe, S. Kameoka, and A. P. Tsai, Microstructure of leached Al-Cu-Fe quasicrystal with high catalytic performance for steam reforming of methanol, Applied Catalysis A: General, vol.384, issue.1-2, p.241, 2010.
DOI : 10.1016/j.apcata.2010.06.045

J. Ledieu, ´. E. Gaudry, V. Fournée, and . Sci, Surfaces of Al-based complex metallic alloys: atomic structure, thin film growth and reactivity, Science and Technology of Advanced Materials, vol.37, issue.3, p.34802, 2014.
DOI : 10.1016/j.apsusc.2013.06.101
URL : https://hal.archives-ouvertes.fr/hal-01075798

K. Kovnir, A new approach to well-defined, stable and site-isolated catalysts, Science and Technology of Advanced Materials, vol.2, issue.5, pp.420-076102, 2007.
DOI : 10.1021/jp036718t

S. Song and E. R. Ryba, Structural repeat units and repeat schemes for the Al-Cu-Co decagonal phase and its crystalline approximants, Philosophical Magazine Letters, vol.65, issue.2, p.85, 1992.
DOI : 10.1111/j.1365-2818.1987.tb01353.x

G. Trambly-delaissardì-ere, D. Nguyen-manh, and D. Mayou, Electronic structure of complex Hume-Rothery phases and quasicrystals in transition metal aluminides, Progress in Materials Science, vol.50, issue.6, p.679, 2005.
DOI : 10.1016/j.pmatsci.2005.01.001

A. Ormeci and Y. Grin, Chemical Bonding in Al5Co2: The Electron Localizability-Electron Density Approach, Israel Journal of Chemistry, vol.12, issue.11-12, p.1349, 2011.
DOI : 10.1002/ijch.201100147

U. Burkhardt, M. Ellner, Y. Grin, and B. Baumgartner, Powder diffraction refinement of the Co2Al5 structure, Powder Diffraction, vol.64, issue.03, p.159, 1998.
DOI : 10.3891/acta.chem.scand.21-0647

S. A. Villaseca, J. M. Dubois, and . Gaudry, complex metallic alloy, Philosophical Magazine, vol.13, issue.19-21, p.2894, 2011.
DOI : 10.1103/PhysRevLett.50.1998
URL : https://hal.archives-ouvertes.fr/hal-00974222

F. Stein, C. He, and N. Dupin, Melting behaviour and homogeneity range of B2 CoAl and updated thermodynamic description of the Al???Co system, Intermetallics, vol.39, p.58, 2013.
DOI : 10.1016/j.intermet.2013.03.011

A. Mayer, H. Salopaasi, K. Pussi, and R. Diehl, A novel method for the extraction of intensity???energy spectra from low-energy electron diffraction patterns, Computer Physics Communications, vol.183, issue.7, p.1443, 2012.
DOI : 10.1016/j.cpc.2012.02.019

J. B. Pendry and J. Phys, C: Solid State Phys, p.937, 1980.

G. Kresse and J. Hafner, molecular dynamics for liquid metals, Physical Review B, vol.47, issue.1, p.558, 1993.
DOI : 10.1103/PhysRevB.47.558

G. Kresse and J. Hafner, molecular-dynamics simulation of the liquid-metal???amorphous-semiconductor transition in germanium, Physical Review B, vol.49, issue.20, p.14251, 1994.
DOI : 10.1103/PhysRevB.49.14251

G. Kresse and J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science, vol.6, issue.1, p.15, 1996.
DOI : 10.1016/0927-0256(96)00008-0

G. Kresse and J. Furthmüller, total-energy calculations using a plane-wave basis set, Physical Review B, vol.54, issue.16, p.11169, 1996.
DOI : 10.1103/PhysRevB.54.11169

P. E. Blochl, Projector augmented-wave method, Physical Review B, vol.50, issue.24, p.17953, 1994.
DOI : 10.1103/PhysRevB.50.17953

G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Physical Review B, vol.59, issue.3, p.1758, 1999.
DOI : 10.1103/PhysRevB.59.1758

J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.77, issue.18, p.3865, 1996.
DOI : 10.1103/PhysRevLett.77.3865

J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)], Physical Review Letters, vol.78, issue.7, p.1396, 1997.
DOI : 10.1103/PhysRevLett.78.1396

K. Momma and F. Izumi, for three-dimensional visualization of crystal, volumetric and morphology data, Journal of Applied Crystallography, vol.51, issue.6, p.1272, 2011.
DOI : 10.1107/S0021889811038970

M. Hagen and M. W. Finnis, Point defects and chemical potentials in ordered alloys, Philosophical Magazine A, vol.11, issue.2, p.447, 1998.
DOI : 10.1016/1359-6454(96)00117-6

C. Colinet and J. Tedenac, First principles calculations in V???Si system. Defects in A15-V3Si phase, Computational Materials Science, vol.85, p.94, 2014.
DOI : 10.1016/j.commatsci.2013.12.044
URL : https://hal.archives-ouvertes.fr/hal-00997655

A. Togo, F. Oba, and I. Tanaka, at high pressures, Physical Review B, vol.78, issue.13, p.134106, 2008.
DOI : 10.1103/PhysRevB.78.134106

R. Mittal, M. Zbiri, H. Schober, E. Marelli, S. J. Hibble et al., calculations, Physical Review B, vol.83, issue.2, p.24301, 2011.
DOI : 10.1103/PhysRevB.83.024301

N. Moll, A. Kley, E. Pehlke, and M. Scheffler, GaAs equilibrium crystal shape from first principles, Physical Review B, vol.54, issue.12, p.8844, 1996.
DOI : 10.1103/PhysRevB.54.8844

J. R. Kitchin, K. Reuter, and M. Scheffler, in oxygen atmospheres, Physical Review B, vol.77, issue.7, p.75437, 2008.
DOI : 10.1103/PhysRevB.77.075437

M. Mihalkovi? and M. Widom, binary alloy system, Physical Review B, vol.75, issue.1, p.14207, 2007.
DOI : 10.1103/PhysRevB.75.014207

G. Bester, B. Meyer, and M. Fähnle, electron theory and statistical mechanics, Physical Review B, vol.60, issue.21, p.14492, 1999.
DOI : 10.1103/PhysRevB.60.14492

E. Belin-ferré, Electronic structure of hexagonal, Journal of Physics: Condensed Matter, vol.9, issue.44, p.9585, 1997.
DOI : 10.1088/0953-8984/9/44/013

S. A. Villaseca, Complex Metallic Alloy, The Journal of Physical Chemistry C, vol.115, issue.30, p.14922, 2011.
DOI : 10.1021/jp203727h
URL : https://hal.archives-ouvertes.fr/hal-00974222

M. Mihalkovi?, H. Elhor, and J. B. Suck, Atomic dynamics in Al-rich Al-Co alloys near the composition of the decagonal quasicrystal, Physical Review B, vol.63, issue.21, p.214301, 2001.
DOI : 10.1103/PhysRevB.63.214301

G. Trambly-delaissardì-ere, D. N. Manh, L. Magaud, J. P. Julien, F. Cyrot-lackmann et al., Electronic structure and hybridization effects in Hume-Rothery alloys containing transition elements, Physical Review B, vol.52, issue.11, p.7920, 1995.
DOI : 10.1103/PhysRevB.52.7920

M. Oku, T. Shishido, H. Matsuta, and K. Wagatsuma, Comparison of the background corrected valence band XPS spectra of Fe and Co aluminides and silicides with their electronic structures, Journal of Electron Spectroscopy and Related Phenomena, vol.153, issue.3, p.75, 2006.
DOI : 10.1016/j.elspec.2006.06.006

K. G. Nath, Y. Haruyama, and T. Kinoshita, photoemission spectra: Evidence of a localized electronic structure in thin films, Physical Review B, vol.64, issue.24, p.245417, 2001.
DOI : 10.1103/PhysRevB.64.245417

F. U. Hillebrecht, J. C. Fuggle, P. A. Bennett, Z. Zolnierek, and C. , Electronic structure of Ni and Pd alloys. II. X-ray photoelectron core-level spectra, Physical Review B, vol.27, issue.4, p.2179, 1983.
DOI : 10.1103/PhysRevB.27.2179

M. Kraj?í and J. Hafner, Magnetism at surfaces and defects in icosahedral Al-Pd-Mn quasicrystals, Physical Review B, vol.80, issue.21, p.214419, 2009.
DOI : 10.1103/PhysRevB.80.214419

M. Gatti, Ab initio Calculations of Many-Body Effects in Electronic Spectra ( ´ Ecole Polytechnique, 2007.

J. Grin, U. Burkhardt, M. Ellner, and K. Peters, Crystal structure of orthorhombic Co4Al13, Journal of Alloys and Compounds, vol.206, issue.2, p.243, 1994.
DOI : 10.1016/0925-8388(94)90043-4
URL : https://hal.archives-ouvertes.fr/hal-00978014

H. Shin, studies, Physical Review B, vol.84, issue.8, p.85411, 2011.
DOI : 10.1103/PhysRevB.84.085411
URL : https://hal.archives-ouvertes.fr/hal-01157637