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

Publication: Research - peer-reviewConference article – Annual report year: 2008

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Beyond the second row of elements in the Mendeleev periodic table, the consideration of the relativistic effect is important in determining proper configurations of atoms and ions, in many cases. Many important quantities of interest in determining physical and chemical properties of matter, such as the effective 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 be dealt with as two distinct bands. The observed enhancement of laser induced field emission 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.
Original languageEnglish
JournalInternational Journal of Modern Physics B
Publication date2008
Volume22
Issue25-26
Pages4407-4417
ISSN0217-9792
DOIs
StatePublished

Conference

ConferenceInternational Workshop on Condensed Matters Theories
NumberXXXI
CityBangkok, Thailand, 2–8 December
Period01/01/07 → …
CitationsWeb of Science® Times Cited: No match on DOI
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