Magnetic properties study of the anti-perovskite Mn3CuN compound by Monte Carlo simulations

Khalladi, R.; Labrim, H.; Idrissi, S.; Mtougui, S.; Housni, I. El; Ziti, S.; Mekkaoui, N. El; Bahmad, L.

doi:10.1016/j.ssc.2018.12.018

Cited by 22 publications

(5 citation statements)

References 37 publications

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“…These precise atomic positions are essential for accurately calculating the electronic and magnetic properties of the compound. The electronic and magnetic characteristics of the SnMn 3 N compound were determined based on the calculated magnetic moments of the Mn, Sn, and N atoms [33], as depicted in figure 1(a). By considering the distribution and magnitude of these magnetic moments, valuable insights can be gained into the compound's behavior and potential applications.…”

Section: Density Functional Theorymentioning

confidence: 99%

“…The calculations revealed the values of the exchange coupling constants as J 1 = 98.28 meV and J 2 = 53.01 meV. These interactions play a crucial role in determining the compound's magnetic behavior and can have implications for its potential use in various technological applications [33]. To ensure the accuracy and reliability of the calculations, a dense k-point mesh of 10 × 10 × 10 was utilized throughout the entire Brillouin zone [34].…”

Section: Density Functional Theorymentioning

confidence: 99%

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A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

Alaoui,

Jabar,

Tahiri

et al. 2023

Phys. Scr.

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In this paper, we have investigated the electronic, magnetic, magnetocaloric, and thermoelectric properties of the anti-perovskite material SnMn3N using density functional theory (DFT) calculations and Monte Carlo simulations. We observed a second-order phase transition at a temperature of T = 480 K. Firstly, we studied the structural and electronic properties of the material. The crystal structure of this material is cubic with a spatial group of Pm3m. Secondly, we examined the magnetocaloric properties of this metallic compound by calculating the magnetic entropy change (〖∆S〗_max) and the relative cooling power (RCP) under different magnetic fields: 1 T, 3 T, and 5 T. The values obtained for these parameters were 19.382 J/kg·K and 203.466 J/kg at an external magnetic field of 5 T, respectively. Lastly, we also analyzed the thermoelectric properties of the compound using the BoltzTraP and Gibbs2 methods. We determined that the Seebeck coefficient at room temperature is 17.7766 (µV/K-1) and 23.099 (µV/K-1) in the transition phase at 480K. We are currently conducting measurements of the thermal conductivity and power factor of this material at both room temperature and the transition temperature of 480 K. In summary, this study provides a deeper understanding of the magnetocaloric, thermoelectric, and thermal properties of the SnMn3N material, which can potentially be utilized in the development of more efficient cooling systems.

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Section: Density Functional Theorymentioning

confidence: 99%

Section: Density Functional Theorymentioning

confidence: 99%

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

Alaoui,

Jabar,

Tahiri

et al. 2023

Phys. Scr.

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“…This is the case for the earlier references. [15,16,20,23,[26][27][28] The magnetic properties of the double perovskite Sr 2 YRuO 6 are investigated using Monte Carlo simulations. The calculations are performed to simulate the Hamiltonian given in Eq.…”

Section: Theoretical Modelmentioning

confidence: 99%

“…The anomalies possess unusual transport and magnetic properties that emphasize the strong interplay of spin, charge, and orbital degrees of freedom. In some of our recent works, [14][15][16][17][18][19][20][21][22][23] we have provided the magnetic behavior and phase diagrams using Monte Carlo simulations for the perovskite BiFeO 3 , also we have presented and discussed the corresponding hysteresis cycles.…”

Section: Introductionmentioning

confidence: 99%

Magnetic properties of the double perovskite compound Sr₂YRuO₆

Mekkaoui¹,

Idrissi²,

Mtougui³

et al. 2019

Chinese Phys. B

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We study the magnetic properties of the double perovskite ruthenate compound Sr2YRuO6 using Monte Carlo simulations (MCS). We elaborate the ground state phase diagrams for all possible and stable configurations. The magnetizations and the susceptibilities as a function of temperature for the studied system are also reported. The effects of the exchange coupling interactions and the crystal field are examined and discussed. On the other hand, since the compound Sr2YRuO6 exhibits an antiferromagnetic behavior, we find its Néel temperature, T N ≈ 31 K , which is in good agreement with the experimental results in the literature. To complete this study, the hysteresis loops and the coercive field as a function of the external magnetic field are also obtained for fixed values of the physical parameters.

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“…[17] Motivated by the lack of the theoretical investigations of the double perovskite ceramics La 2 CuMnO 6 , we study a model describing the critical behavior of the studied compound. In this work, based on Monte Carlo simulations, which have been performed under Metropolis algorithm, [18][19][20][21][22] we provide the magnetic properties in a wide temperature and external magnetic field range.…”

Section: Introductionmentioning

confidence: 99%

Magnetic properties of La₂CuMnO₆ double perovskite ceramic investigated by Monte Carlo simulations

et al. 2020

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We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic, using Monte Carlo simulations. We analyze and discuss the ground state phase diagrams in different planes to show the effect of every physical parameter. Based on the Monte Carlo simulations, which combine Metropolis algorithm and Ising model, we explore the thermal behavior of the total magnetization and susceptibility. We also present and discuss the influence of physical parameters such as the external magnetic field, the exchange coupling interactions between magnetic atoms, and the exchange magnetic field on the magnetization of the system. Moreover, the critical temperature of the system is about T c = 70 K, in agreement with the experimental value. Finally, the hysteresis loops of La2CuMnO6 are discussed.

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Magnetic properties study of the anti-perovskite Mn3CuN compound by Monte Carlo simulations

Cited by 22 publications

References 37 publications

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

Magnetic properties of the double perovskite compound Sr₂YRuO₆

Magnetic properties of La₂CuMnO₆ double perovskite ceramic investigated by Monte Carlo simulations

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Magnetic properties study of the anti-perovskite Mn3CuN compound by Monte Carlo simulations

Cited by 22 publications

References 37 publications

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn3N material: a DFT study and monte carlo simulation

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn3N material: a DFT study and monte carlo simulation

Magnetic properties of the double perovskite compound Sr2YRuO6

Magnetic properties of La2CuMnO6 double perovskite ceramic investigated by Monte Carlo simulations

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Product

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A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

A large magnetocaloric effect and thermoelectric properties of anti-perovskite SnMn₃N material: a DFT study and monte carlo simulation

Magnetic properties of the double perovskite compound Sr₂YRuO₆

Magnetic properties of La₂CuMnO₆ double perovskite ceramic investigated by Monte Carlo simulations