Ab-initio and Monte Carlo studies of magnetic and magnetocaloric properties of antiperovskite Mn3AlN

H Kerrai, A Zaim, M Kerouad - Computational Materials Science, 2024 - Elsevier
In this study, we systematically investigate the electronic, magnetic, and magnetocaloric
properties of Mn 3 AlN antiperovskite. This system is examined through first-principles …

Predictions on new Cu-based ABO3 (A= Cu and B= Lu, Y) oxide-perovskite for energy storage and optoelectronic applications: A DFT study

N Bibi, M Usman, S Noreen - Materials Science in Semiconductor …, 2025 - Elsevier
Cu-based novel oxide-perovskite ABO 3 (A= Cu and B= Lu, Y) compounds have been
investigated for their physical properties using the Generalized Gradient Approximation and …

A theoretical investigation of ABO3 (A= Na and B= Ti, In) perovskites for solar cell and optoelectronic applications

N Bibi, M Usman - Materials Science in Semiconductor Processing, 2025 - Elsevier
Oxide-perovskites are becoming the leading aspirants to meet the need for energy
conversion and optoelectronics devices. Therefore, Na-based novel oxide-perovskite ABO 3 …

Theoretical study of the magnetic and magnetocaloric properties of the ZnFe3N antiperovskite

S Amraoui, A Feraoun, M Kerouad - Current Applied Physics, 2021 - Elsevier
The antiperovskite ZnFe 3 N is studied by using density functional theory calculations and
Monte Carlo simulation. Based on the electronic and magnetic properties, it is found that …

DFT analysis of mechanical, thermal, half-metallic, and thermoelectric properties of perovskites PrMnO3 and NdMnO3 ortho-manganite

A Haoui, M Elchikh, S Hiadsi, AH Baghdad - Physica B: Condensed Matter, 2024 - Elsevier
In this study, we present a theoretical investigation of the structural, mechanical, thermal,
electronic, magnetic and thermoelectric properties of orthorhombic rare earth perovskites …

Enhancement of microwave absorption ability of Nd0.67Sr0.33Mn1-xNix/2Tix/2O3 (x = 0, 0.03, and 0.06)

SA Saptari, JQ Syarifuddin, A Tjahjono… - Emergent …, 2024 - Springer
The rapid growth of electromagnetic wave-based technologies has raised concerns about
potential health risks from wave energy radiation. To address this, we investigate the impact …

Combining Ab Initio and Monte Carlo Methods to Study the Electronic, Magnetic, and Magnetocaloric Properties of Full-Heusler Material

S Amraoui, O Amhoud, B Boughazi, A Zaim… - Journal of Electronic …, 2024 - Springer
In this work, the full-Heusler GaFeCo 2 is studied using the first-principles method based on
density functional theory with the generalized gradient approximation (GGA and GGA+ U) …

Crystal Structure, Magnetic Phase Transitions and Magnetocaloric Effect of DyCo2−xGex Compounds

MF He, JC Xiong, L Ma, MX Wu, L Li, PX Yan… - Journal of Electronic …, 2024 - Springer
The crystal structure, magnetic phase transitions and magnetocaloric effect of DyCo2− x Ge
x (x= 0.0–0.2) compounds were studied. X-ray diffraction coupled with Rietveld analysis …

Magnetocaloric Properties of the Perovskite GdCuO3: Monte Carlo Simulation

H El Ganich, Y Ait Ahmed, O El Rhazouani… - … of Superconductivity and …, 2022 - Springer
This work aims to examine the magnetocaloric properties of the Perovskite GdCuO3, such
as the total magnetization, the susceptibility, and the total specific heat, using Monte Carlo …

Magnetocaloric Properties of the Perovskite GdCuO3: Monte Carlo Simulation.

Y Ait Ahmed, A Halimi, E Saad - … of Superconductivity & …, 2022 - search.ebscohost.com
This work aims to examine the magnetocaloric properties of the Perovskite GdCuO< sub> 3,
such as the total magnetization, the susceptibility, and the total specific heat, using Monte …