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Atomic and electronic structures of Zr-(Co,Ni,Cu)-Al metallic glasses
12. J. F. Wang, R. Li, R. J. Xiao, T. Xu, Y. Li, Z. Q. Liu, L. Huang, N. B. Hua, G. Li, Y. C. Li, and T. Zhang, Appl. Phys. Lett. 99, 151911 (2011).
13. K. Soda, K. Shimba, S. Yagi, M. Kato, T. Takeuchi, U. Mizutani, T. Zhang, M. Hasegawa, A. Inoue, T. Ito, and S. Kimura, J. Electron Spectrosc. Relat. Phenom. 144, 585 (2005).
18. R. F. Egerton, Electron Energy-loss Spectroscopy in the Electron Microscope (Plenum, New York, 1996).
22. C. C. Yuan and X. K. Xi, “Formation of Zr-(Co,Ni,Cu)-Al bulk metallic” (unpublished).
25.The hybridization between solute Al p with TM d states produces the depletion of s and d sub-bands at the Fermi level could also be “felt” by TM nuclei, which is exactly the case. The measured 63Cu NMR isotropic shifts are only ∼1000 ppm in these MGs, much less than 2380 ppm in pure copper.
29.For β-phase Ni1−xAlx (0.46 ≤ x ≤ 0.54) alloys with B2 structure, the Fermi level moving from a minimum DOS (x > 0.5, Al rich) toward an antibonding DOS peak (x < 0.5, Ni rich) with decreasing x. At the same time, gd(Ef) at the TM sites changes significantly while gs(Ef) at the Al sites nearly makes no change. The correlation of of 27Al isotropic shifts with gd(Ef) at the TM sites as a function of Al concentration [see Ref. 27] indicates Kd is the major contribution to the observed shift fluctuation for the alloys.
39. D. G. Pettifor, in Electron Theory in Alloy Design, edited by D. G. Pettifor and A. H. Cottrell (Alden, Oxford, 1992).
41.Similar observations have been found in TMAl and ZrTM2 (TM = Co, Ni, and/or Cu) alloys in recent electronic structure computations [Refs. 3 and 6].
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