Surface states on NiAl(110)
Surface states on NiAl(110) have been investigated experimentally usingangle-resolved photoemission and theoretically with a self-consistentpseudopotential scheme within the local-density approximation (LDA). Boththeory and experiment show that the termination of bulk NiAl at the (110)surface creates surface states in the gap regions of the projection of the bulkbands and strong /ital d/ resonance states around the gap edges. In general, theenergy position, symmetry, and dispersion of the surface-state bands observedexperimentally are reproduced by the theoretical calculation. The first momentof the surface density of states (DOS) is shifted towards the Fermi level byapprox.0.5 eV, suggesting that the surface Ni and Al atoms in the alloyhave recovered some of their individual bonding behavior. However, the totalsurface DOS at the Fermi level shows negligible change from that of the bulk,thus indicating the absence of a magnetic surface layer.
- Research Organization:
- Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6202(US); Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6024
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 6194820
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:18; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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