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- W2374475498 abstract "Based on Quandt-Elser structural model of icosahedral AlPdMn quasicrystalline approximant,and by using the ab-initio computation package VASP,the electronic density of state(DOS) and the charge density of i-AlPdMn approximant were calculated.The results show that a deep pseudogap with a width of about 1 eV exists at the Fermi level in the DOS curve;the Mn d peak is widened and locates at a lower energy;the valence electrons are localized at the middle of Al—Mn,Al—Pd,Al—Al atomic pairs,which shows covalent bonding character;the bond of Al—Mn is the strongest.With the pseudogap and the covalent bonding characteristics the special physical properties of i-AlPdMn quasicrystal and approximant can be well explained." @default.
- W2374475498 created "2016-06-24" @default.
- W2374475498 creator A5081860379 @default.
- W2374475498 date "2007-01-01" @default.
- W2374475498 modified "2023-09-28" @default.
- W2374475498 title "Study of Electronic Structures of Icosahedral AlPd Mn Quasicrystalline Approximant" @default.
- W2374475498 hasPublicationYear "2007" @default.
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