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Trend to Localization of f‐States in Actinide Metals
Author(s) -
Nikolaev A. V.,
Ionova G. V.
Publication year - 1991
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.2221670223
Subject(s) - actinide , americium , thorium , electronic band structure , fermi level , density of states , density functional theory , electron localization function , electron , electronic structure , fermi energy , fermi gamma ray space telescope , physics , condensed matter physics , atomic physics , materials science , nuclear physics , quantum mechanics , uranium
Band‐structure calculations of actinide metals from thorium to americium in f.c.c. and b.c.c. lattices are carried out by the relativistic LAPW method with warped potential and nonfrozen core treatment to obtain their density of states at the Fermi energy. Although band‐structure calculations lead to the necessity of taking the f‐state trend to localization into account, they do not get this localization by intrinsic way. Therefore, the f‐state localization is a many electron process, which could not be obtained within density functional theory.