Electronic and Vibrational Properties · Figs. 217 - 231
This chapter illustrates the electronic structure of group IIIA: aluminum (Al). The electronic structure of the Al(111) surface is calculated using self-consistent pseudopotentials. Surface states are identified and the (111) work function is calculated. Projected 2D energy bands for Al(111) derived from the 3D band structure is shown. Planar average and contour plot of valence charge density, total charge density of half of a six-layer Al(111) film with the Wigner correlation potential in units of electrons per atom are illustrated. Contour plot (in steps of 0.27 electrons per atom) of the self-consistent total charge density for the outer three layers of a nine-layer Al(111) film. Truncated image barrier used as a model potential for the Al(111) surface is shown. Surface density of states (ns) with zero parallel wave vector calculated for truncated image potentials with different depths is illustrated. Experimental study of low-energy electron-diffraction rotation diagrams from the (001) surface of Al reveals the appearance of systematic structure in a specularly reflected beam. Surface states of Al(100) embedded in a symmetry-resolved projected band structure (vertical bars) at the high-symmetric points are figured out.