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Published online by Cambridge University Press: 25 February 2011
Surface and bulk electronic structure of the ordered NiAl alloy were measured using angle resolved photoelectron spectroscopy. The measured bulk d-bands (Ni like) were observed to be narrower than theoretically calculated d band widths which are 20 to 40% wider (depending upon what is used as a measure of the width). At least two surface states were observed on both the (110) and (111) surfaces. The nature of these surface states and their relationship to the bulk band structure is discussed. Dispersion of bulk phonons was measured by neutron scattering and fitted with a fourth nearest neighbor Born-von Karman model. Dipole active surface phonons on the (110) and (111) surfaces were observed by inelastic electron scattering and the frequencies also calculated assuming a truncated bulk surface. The calculated surface modes present a qualitative picture of the atomic displacement at each surface and also show that the surface phonon energy and intensity depends upon the structure of the surface.