We have carried out extensive one- and three-step angle-resolved photoemission spectroscopy (ARPES) intensity computations on Ni(100) within the band theory framework based on the local spin-density approximation. The results show a good overall level of accord with the recent high-resolution ARPES experiments on Ni(100) which probe the majority- and minority-spin Σ₁ band along the Γ-K direction near the Fermi energy (EF), uncertainties inherent in our first-principles approach notwithstanding. The k‖ and energy dependencies of various spectral features are delineated in terms of the interplay between changes in the initial- and final-state bands and the associated transition matrix elements. The remarkable decrease observed with decreasing k‖ in the ARPES intensity of the majority-spin Σ₁ band as it disperses below the EF as well as an enhanced spin polarization of the photoemitted electrons from the EF is shown to arise from the presence of a band gap in the final-state spectrum.


Originally published in Physical Review B v.66 (2002): 235107. DOI: 10.1103/PhysRevB.66.235107


angle-resolved photoemission spectroscopy, ARPES, Ni(100), band gap, matrix element effects

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Photoemission, Spectroscopy




American Physical Society

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Copyright 2002 American Physical Society.

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