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Local‐Density‐Functional Approximation to the Energy Band Structure of TmS Using the Self‐Consistent Relativistic Linearized‐Augmented‐Planc‐Wave Method
Author(s) -
Farberovich O. V.,
Nizhnikova G. P.,
Vlasov S. V.,
Domashevskaya E. P.
Publication year - 1984
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.2221210126
Subject(s) - electron , condensed matter physics , physics , plane wave , thulium , symmetry (geometry) , coupling constant , density of states , phonon , electronic band structure , constant (computer programming) , relativistic quantum chemistry , electronic structure , quantum electrodynamics , atomic physics , quantum mechanics , doping , mathematics , geometry , computer science , programming language
The self‐consistent relativistic linearized‐augmented‐plane‐wave method is applied to local‐density calculation of electronic structure of TmS. It is found, that thulium monosulphide is a metal with a trivalent state of thulium. The influence of spin—orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron—phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo‐like system.