IMPLICATIONS OF RELATIVISTIC CONFIGURATIONS AND BAND STRUCTURES IN THE PHYSICS OF BIO-MOLECULES AND SOLIDS

摘要

Beyond the second row of elements in the Mendeleev periodic table, the consideration of the relativistic effect is important in determining proper conffgurations of atoms and ions, in many cases. Many important quantities of interest in determining physical and chemical properties of matter, such as the efective charge, root mean square radii, and higher moments of radii used in many calculations, e.g. in the determinations of legend stabilization bond energies depend on whether the treatment is relativistic or not. In general, these quantities for a given l-orbital having two different j-values, e.g. d _(3/2) and d _(5/2) , differ from each other, hence, making it necessary to treat them as separate orbitals. This also necessitates characterizing bands with their j-values in many instants and not l-values, particularly for “d” and f-orbitals. For example, in Au, 5d _(3/2) and 5d _(5/2) are to bedealt with as two distinct bands. The observed enhancement of laser induced field emis- sion in W, which is not understood in terms of non-relativistic band-structures, can be explained in terms of the expected relativistic band structure. Spin-orbit coupling, which is the manifestation of the relativistic effect, is a prime factor in facilitating intersystem crossing in bio-molecules.