Open AccessЭлектронная структура и обменные взаимодействия соединений RNi-=SUB=-4-=/SUB=-Co (R=Eu,Yb)
Author(s) -
Л.Н. Граматеева,
А.В. Лукоянов
Publication year - 2018
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2018.09.46377.085
Subject(s) - cobalt , impurity , ion , magnetic moment , nickel , crystallography , electronic structure , exchange interaction , materials science , lattice (music) , metal , chemistry , condensed matter physics , inorganic chemistry , computational chemistry , physics , ferromagnetism , metallurgy , organic chemistry , acoustics
The electronic structure and the exchange interactions in EuNi_4Co and YbNi_4Co compounds have been calculated in terms of a theoretical approach with the inclusion of electronic correlations (LSDA + U method); the variants of substitution of cobalt ion for nickel in the 3 d lattice in both types of crystallographic positions 2 c and 3 g are considered. The total energies obtained in self-consistent calculations show that individual cobalt impurities are more preferably arranged in position of the 3 g type. A Co ion in RNi_4Co (R = Eu, Yb) is characterized by a significant magnetic moment, which leads to significant increase in the exchange interaction of Co and Ni ions in the 3 d metal sublattice.