Optical Absorption in Heavy Transition B. C. C. Metals

Abstract

The complete relativistic calculation of electron states in heavy b.c.c. d-metals is performed by the Green's function method to interpret the experimental optical absorption data. The interband optical conductivity is computed in the framework of the single-particle density matrix formalism taking into account the dipole transition matrix elements. It is shown that consequent relativistic approach permits to interpret reliably the experimental results for the main band of the optical absorption. The effect of the spin-orbit interaction on the absorption in the infrared region is investigated. AJIX

Role of Bulk d‐Electrons in the Formation of Ultraviolet Photoelectron Spectra for a Number of 4d‐Metals

“…For silver the electron energies were calculated by the scalar relativistic Green's function method (the spin-orbit splitting was neglected) and the wave functions were not calculated. The crystalline model potential was used in the same form as in [8]. The radius of the muffin-tin (MT) sphere is taken as usual, equal to the radius of the sphere inscribed in the Wigner-Seitz cell [7].…”

Relativistic calculation of the electronic structure of antiferromagnetic chromium with a sinusoidal spin-density wave

“…Since in the relativistic KKR method the wavefunctions are defined only inside the MT sphere, difficulties emerge in calculating integrals (11). In this work, when normalizing the wavefunctions, the following relations have been used to define the normalized KKR coefficients C jn κµ (q) [14]:…”

“…Here λ i and t i,κµ are the ith eigenvalue and the corresponding eigenvectors of the standard KKR dispersive matrix, r S is the radius of the MT sphere, and j l and j l are Bessel functions and their derivatives dj l (x)/dx, respectively. In deriving relation ( 18) in [14], the radial functions g κ , f κ and the functions ψ n were assumed to be normalized to unity in the MT sphere and the unit cell, respectively. Up to this point we have not used the explicit form of the spin-polarizing exchange potential V j (r).…”