Computation of the exchange interactions in CaCu3Fe2Os2O12 quadruple perovskite: Monte Carlo Simulation

被引：0

作者：

El Ganich, Hajar ^{[1
]}

El Rhazouani, Omar ^{[1
]}

Ahmed, Youssef Ait ^{[1
]}

Halimi, Abdellah ^{[1
]}

El Mansouri, Khalifa ^{[1
]}

Saad, Elmadani ^{[1
]}

机构：

[1] Hassan First Univ Settat, High Inst Hlth Sci, Lab Sci & Hlth Technol, BP 555, Settat 26000, Morocco

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2023年 / 150卷

关键词：

Quadruple perovskite Ca 2 Cu 3 Fe 2 Os 2 O 12; Exchange interaction; Monte Carlo Simulation; Internal energy at each site; Magnetization at each site; COUPLINGS CALCULATION;

D O I：

10.1016/j.physe.2023.115696

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

This paper focuses to establish a method for estimating the exchange interactions in Quadruple Perovskite CaCu3Fe2Os2O12, based on a correlation between internal energy and magnetism at each site and Monte Carlo Simulations (MCS) according to the Ising model. We have computed the exchange interactions using the experimental temperature value of this material, identified under an external field h = 0.1 T , using also a renormalization parameter alpha. The internal energy of each magnetic arrangement has been computed together with the magnetization at each site, the magnetic susceptibility, and the specific heat. Finally, a comparison of our simulation results with other has been performed. The Exchange interactions obtained are JCu_Fe = 13.15 meV, JCu_ Os = 37.58 meV, JFe_ Os = 46.98 meV , JCu_ Cu = 0.13 meV , JFe_Fe = 0.07 meV and JOs_ Os = 0.02 meV.

引用

页数：6

共 50 条

[31] Monte Carlo Simulation for an Electrical Discharge in O2
Zeghichi, Leyla
Mokhnache, Leila
Djebabra, Mebarek
LASER AND PLASMA APPLICATIONS IN MATERIALS SCIENCE, 2011, 227 : 211 - 214
[32] High-pressure syntheses, crystal structures, and magnetic properties of novel quadruple perovskite oxides LaMn3Ru2Mn2O12 and LaMn3Ru2Fe2O12
Morimura, Amane
Kamiyama, Sachiko
Hayashi, Naoaki
Yamamoto, Hajime
Yamada, Ikuya
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 968
[33] A MONTE-CARLO SIMULATION OF FE-2+ AQUEOUS SOLVATION
GONZALEZLAFONT, A
LLUCH, JM
OLIVA, A
BERTRAN, J
CHEMICAL PHYSICS, 1987, 111 (02) : 241 - 247
[34] Structural and Magneto-Elastic Properties of the Quadruple Perovskites CaCu3B2Os2O12 (B = Mn-Ni): The Heisenberg Model and DFT Study
Shahid Mehmood
Zahid Ali
Yasser T Alharbi
Suliman A. Alderhami
Laila Almanqur
Journal of Electronic Materials, 2023, 52 : 5872 - 5883
[35] New Routes to Synthesizing an Ordered Perovskite CaCu3Fe2Sb2O12 and Its Magnetic Structure by Neutron Powder Diffraction
Larregola, Sebastian A.
Zhou, Jianshi
Alonso, Jose A.
Pomjakushin, Vladimir
Goodenough, John B.
INORGANIC CHEMISTRY, 2014, 53 (09) : 4281 - 4283
[36] Structural and Magneto-Elastic Properties of the Quadruple Perovskites CaCu3B2Os2O12 (B = Mn-Ni): The Heisenberg Model and DFT Study
Mehmood, Shahid
Ali, Zahid
Alharbi, Yasser T.
Alderhami, Suliman A.
Almanqur, Laila
JOURNAL OF ELECTRONIC MATERIALS, 2023, 52 (09) : 5872 - 5883
[37] A Monte Carlo simulation of magnetic ordering in ising ferrites of formula 5fe2o3.3y2o3 with garnet structure
Stanica, Nicolae
Dobrescu, Gianina
Patron, Luminita
Suh, Soong-Hyuck
Cimpoesu, Fanica
Postelnicu, Lucian
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2006, 5 (02): : 151 - 161
[38] Magnetic properties of double perovskite Sr2RuHo0O6: Monte Carlo Simulation
Nid-bahami, A.
El Kenz, A.
Benyoussef, A.
Bahmad, L.
Hamedoun, M.
El Moussaoui, H.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2016, 417 : 258 - 266
[39] Exchange couplings calculation in Sr2CrNO6 (N = Os, Ir) Double Perovskites: Monte Carlo simulation
El Rhazouani, O.
Slassi, A.
Ziat, Y.
Benyoussef, A.
CURRENT APPLIED PHYSICS, 2017, 17 (07) : 951 - 956
[40] INDIRECT MAGNETIC EXCHANGE INTERACTIONS IN ALPHA-FE2O3 AND CR2O3
OSMOND, WP
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1962, 79 (508): : 394 - &

← 1 2 3 4 5 →