scholarly journals Structural, electronic and magnetic properties of LaCr2Si2C: Ab initio calculation, mean field approximation and Monte-Carlo simulation

2018 ◽  
Vol 9 ◽  
pp. 1239-1245 ◽  
Author(s):  
A. Endichi ◽  
H. Zaari ◽  
A. Benyoussef ◽  
A. El Kenz
2015 ◽  
Vol 29 (27) ◽  
pp. 1550174 ◽  
Author(s):  
M. Ait-Tamerd ◽  
B. Abraime ◽  
K. El Maalam ◽  
A. Benyoussef ◽  
A. El Kenz ◽  
...  

In this paper, the Monte Carlo simulation (MCS) and the mean field approximation (MFA) methods have been used to study the magnetic properties of double perovskite Ba2CrMoO6 in the framework of the Ising model, which is important for a better understanding of the magnetic behavior of this material. This compound is constituted of two magnetic cubic sublattices: one occupied by Mo[Formula: see text] and other occupied Cr[Formula: see text], the critical exponents and phase diagrams for this compound are determined. The critical behavior, compensation temperature and susceptibility are also determined.


2020 ◽  
Vol 62 (6) ◽  
pp. 823
Author(s):  
М.В. Матюнина ◽  
М.А. Загребин ◽  
В.В. Соколовский ◽  
В.Д. Бучельников

Abstract The first-principles studies have been performed for the electronic and magnetic properties of DyFe_4Ge_2 alloys near the P 4_2/ mmm – Cmmm phase transition. The calculations are carried out in a local spin density approximation taking into account the Coulomb interaction within the limit of strong localization in a mean field approximation. The electronic and magnetic properties of the tetragonal structure are shown to be weakly changed in the dependence on the Coulomb and exchange interactions and also on the choice of the approximations. In the case of the orthorhombic structure, a change in the parameters of the Coulomb and exchange interactions leads to a change in the magnetic ordering: from the ferromagnetic to ferrimagnetic in the strong localization limit and from the ferromagnetic to paramagnetic in the mean field approximation.


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