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Band Structure of Sodium and Lithium Azides
Author(s) -
Zhuravlev Yu. N.,
Poplavnoi A. S.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221600112
Subject(s) - pseudopotential , electronic band structure , lithium (medication) , spectral line , chemistry , atomic orbital , electron , plane wave , atomic physics , condensed matter physics , physics , optics , quantum mechanics , medicine , endocrinology
LiN 3 , α‐, β‐NaN 3 band structure is determined by means of pseudopotential technique on the basis of localized Slater orbitals decomposed along plane waves. The nature of the complex bands and the effect of phase transition on the electron energy spectrum in NaN 3 are discussed. Density of states data calculated by means of energy band interpolation by Fourier symmetrized series are compared with those on photoelectron spectra of azide salts. The peculiarities of both optical and photoemission NaN 3 spectra are interpreted in terms of band–band electron transitions.