KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Materials Science and Engineering Program
Computational Physics and Materials Science (CPMS)
MetadataShow full item record
AbstractDensity functional theory, the free-electron empty lattice approximation and the nearly free-electron approximation are employed to investigate the electronic properties of partially covalent α-Ga. Whereas free-electron-like properties are revealed over a large energy range, a deep pseudogap at the Fermi level is characteristic of α-Ga. We explain the origin of the pseudogap in terms of a delicate interplay between the electronic states and the specific Brillouin zone geometry. © 2011 IOP Publishing Ltd.
- Fermi surface-Brillouin-zone-induced pseudogap in γ-Mg17Al12 and a possible stabilization mechanism of β-Al3Mg2.
- Authors: Mizutani U, Kondo Y, Nishino Y, Inukai M, Feuerbacher M, Sato H
- Issue date: 2010 Dec 8
- Stabilization mechanism of γ-Mg₁₇Al₁₂ and β-Mg₂Al₃ complex metallic alloys.
- Authors: Vrtnik S, Jazbec S, Jagodič M, Korelec A, Hosnar L, Jagličić Z, Jeglič P, Feuerbacher M, Mizutani U, Dolinšek J
- Issue date: 2013 Oct 23
- Defusing Complexity in Intermetallics: How Covalently Shared Electron Pairs Stabilize the FCC Variant Mo2Cu(x)Ga(6-x) (x ≈ 0.9).
- Authors: Kilduff BJ, Yannello VJ, Fredrickson DC
- Issue date: 2015 Aug 17
- The electronic structure of liquid water within density-functional theory.
- Authors: Prendergast D, Grossman JC, Galli G
- Issue date: 2005 Jul 1
- Hume-Rothery stabilization mechanism and e/a determination for RT- and MI-type 1/1-1/1-1/1 approximants studied by FLAPW-Fourier analyses.
- Authors: Mizutani U, Inukai M, Sato H, Zijlstra ES
- Issue date: 2012 Oct 21