Soft-x-ray appearance potential spectra of La and Ce from 0 to 1400 eV

The soft-x-ray appearance potential spectra were measured for La and Ce in the 0-1400-eV range. The 3d and 4dspectra exhibited prominent structure, which is discussed along with x-ray absorption and emission data. The excited electron and the core hole interact strongly, and there is evidence for additional interaction with the projectile electron. The two-density-of-states model of Wendin seems promising for explaining the spectra, but it must be extended to allow for the interaction of the projectile electron with the excited atom. The effects of oxidation are described

Photoemission studies of the γ−α phase transition in Ce: Changes in 4f character

Photoemission studies of the γ−α phase transition in cerium show changes in two 4f-related features in the valence band (0.3 and 2 eV below EF) and broadening of the multiplet structure in the region of the 4d−4f transitions. We show that the observed features can be explained by increased hybridization of the 4f wave function upon entering the α phase

Optical properties of TiCx (0.64≤x≤0.90) from 0.1 to 30 eV

The stoichiometry-dependent optical properties of bulk samples of TiCx have been determined for four samples in the range 0.64≤x≤0.90. Reflectance and absorptance data taken in the range 0.1-30 eV have been Kramers-Kronig analyzed to obtain the dielectric function and related functions. Interband absorption begins at 0.1 eV or less. The observed interband transitions are interpreted on the basis of existing energy-band calculations. Comparison of optical structure with joint-density-of-states calculations shows that the rigid-band model cannot be applied strictly to explain the x-dependent structure, especially in the 5-10 eV region. The electron-energy-loss functions exhibit two peaks, one near the free-electron plasmon energy and one near 10 eV, both peaks shifting to higher energy as x increases

Band dispersion in C60(111): An angle-resolved photoemission study

Angle-resolved photoemission studies of single-crystal C60(111) films grown on GeS(001) reveal changes in valence feature line shape with emission angle and photon energy that are indicative of band dispersion. For an excitation energy (hν) of 10 eV, normal emission spectra show four sharp structures within the ∼1.1-eV-wide valence feature derived from the second highest molecular orbital (HOMO-1) of C60. For hν=8.1 eV, the 1-eV-wide HOMO-derived feature exhibits changes with emission angle mainly due to dispersion of 0.6 eV in the unoccupied bands. The distribution of electronic states underlying HOMO and HOMO-1 indicates that vibronic loss structures are not necessary to explain the width of these valence features

Low-energy interband absorption in bcc Fe and hcp Co

We have examined the electronic structure of bcc Fe and single-crystal hcp Co by using optical absorptivity and thermoreflectance techniques for 0.2≤hν≤5 eV. The optical conductivities σ were calculated by Kramers-Kronig analyses. A prominent structure was observed in σ for Fe at 2.37 eV and a shoulder was observed near 0.8 eV; the latter structure was the dominant feature in the thermoreflectance spectrum. These were discussed in terms of minority-spin band interband absorption and spin-flip interband transitions. The anisotropic optical conductivities of hcp Co were discussed in terms of recent energy-band calculations

Optical properties and electronic structure of β′−NiAl

The optical constants and their temperature derivatives have been determined for β′−NiAl from absorption and thermoreflectance measurements in the energy range of 0.2-4.4 eV. The results are interpreted using the self-consistent energy bands of Moruzzi, Williams, and Gelatt. By comparing a calculated joint density of states with ε2, the imaginary part of the dielectric function, good overall agreement is found between theory and experiment. In contrast to earlier analyses, it is found that the 2.5-eV peak in ε2 is primarily due to direct interband transitions terminating near the Fermi surface. This new interpretation of the 2.5-eV feature is discussed in relation to previously reported concentration effects and the rigid-band model

Empirical band calculations of the optical properties of d-band metals. VI. The optical conductivity of ferromagnetic iron

The optical conductivity of ferromagnetic Fe was calculated with an interpolation scheme fit to first-principles energy bands for paramagnetic Fe with a constant exchange splitting. Most of the contributions to the conductivity originate in the minority-spin bands, making the rigid splitting a valid assumption. The inclusion of electric-dipole matrix elements is essential for obtaining agreement with experiment. The locations of the transitions in the band structure were found by plotting contributions from differential volumes throughout the irreducible wedge of the Brillouin zone, including dipole matrix elements. The strong transitions around 2.5 eV occur between flat bands in large regions of the zone, regions not associated with symmetry points, lines, or planes. The transitions near 6 eV originate in a smaller volume of k space near a symmetry line, associated with an interband critical point

Optical properties and electronic structure of MgAuSn

The optical conductivity spectrum of single-crystal MgAuSn was measured by spectroscopic ellipsometry in the energy range 1.5–5.0 eV. The spectrum has a large peak at 2.9 eV and a small shoulder around 4.3 eV. The band structure, density of states, and interband contribution to the optical conductivity were calculated with the tight-binding linear muffin-tin orbital method in the atomic-sphere approximation. The intraband contribution to the optical conductivity was added using the Drude response fitted to the experimental data. The total theoretical spectrum, including the intraband contribution, agrees well with experimental data