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This comparative Monte Carlo study compares the magnetic properties of β₁₂, χ₃, and striped Borophene structures to reveal differences in magnetization, susceptibility, blocking temperature, and coercive field for each lattice. Beyond merely exploring these properties, the study delves into the crucial influence of exchange coupling (J) and external magnetic field (H) on both blocking temperature and hysteresis cycles. The research sheds light on how the intricate geometry of 2D Borophene materials plays a pivotal role in shaping their magnetic responses. This emphasizes the broader significance of geometric considerations.This multifaceted analysis provides insights into the interplay between structural features and magnetic behaviors, advancing the utilization of Borophene for magnetic applications. [ABSTRACT FROM AUTHOR]

This Monte Carlo study offers a comprehensive analysis of the ovalene-like system, emphasizing its dielectric behavior, thermal performance and hysteresis loops. The investigation reveals intricate dynamics influenced by diverse parameters, contributing to a nuanced understanding of the system’s response. Additionally, the study scrutinizes the impact of various physical parameters on the thermal behavior of polarizations and susceptibilities. The examination thoroughly explores the influence of these parameters on loop characteristics, coercive field, and saturation behavior, unveiling the formation of multiple loops and polarization plateaus on the electric hysteresis. In summary, this study advances our understanding of the ovalene-like system’s dielectric response, thermal characteristics and hysteresis dynamics, providing valuable insights for future research and applications, particularly in advanced electronic devices. [ABSTRACT FROM AUTHOR]

Herein, teh first TEMPprincipal calculations and Monte Carlo Simulation (MCS) were performed to investigate teh magnetic and magneto-caloric properties of PrSi compound. Teh partial magnetic moment of Pr (mPr), and teh exchange interactions parameters (J1, J2) are found to be mPr = 2.8 µB, J1 = 1.707 meV and J2 = 1.312 meV, respectively. Through teh MCS, it was found dat teh Curie temperature value (Tc) from ferromagnetic to paramagnetic state is Tc = 55 K, which is in good agreement wif teh experimental value which is 54 K. Moreover, it was established dat a slight increase in teh applied magnetic field leads to a high increase in teh magnetic entropy from 4.4 J/kg K for h = 1 T to 13.7J/kg K for h=5 T. Furthermore, teh values of adiabatic temperature change and relative cooling power (RCP) obtained for h = 5 T were found to be 3.6 K and 550 J/kg, respectively. [ABSTRACT FROM AUTHOR]

• We study the magnetic properties of a monolayer MXene-like nanostructure. • The magnetic properties of a monolayer MXene-like nanostructure using Monte Carlo simulations are investigated. • The hysteresis cycles of a monolayer MXene-like nanostructure are analyzed. Monte Carlo simulations are used to investigate the magnetic properties of the nanostructured spin-7/2 and spin-1 ferrimagnetic bilayers within interlayer exchange interactions. The effects of nonmagnetic layers thickness, magnetic coupling and the crystal field on the blocking temperature, magnetization and hysteresis loops are studied. It is found that the blocking temperature decreases when increasing the magnetic coupling between layers and/or increasing the thickness of the magnetic layer. Besides, the model exhibits multiple hysteresis loops for which the area decreases when increasing the thickness of the magnetic layer, the crystal field and/or the temperature. Moreover, the effect of temperature on the behavior of the partial and the total magnetization and the total susceptibility are also as investigated. [ABSTRACT FROM AUTHOR]

This paper presents a study on the dielectric characteristics of the Bi-MXene lattice using Monte Carlo simulations through the Metropolis algorithm. The study utilizes the Blume–Capel Ising model to analyze the dielectric characteristics under the effects of temperature, ferrielectric parameter, and external electric longitudinal and crystalline fields. Also, it examines the impact of the ferrielectric parameter J A B , the external electric field ( E Z) , and the crystalline field on the behavior of the blocking temperature ( T B). The results suggest a significant influence of the physical parameters on the blocking temperature analyzed in this study. Additionally, these findings hold implications on ferrielectric materials. [ABSTRACT FROM AUTHOR]

This scientific study presents Monte Carlo simulations within a Blume–Capel Ising model to investigate polarization plateaus in carbon-based ferrielectric (1, 3/2) nanotubes. The study examines the impact of exchange coupling interactions, crystalline field, and temperature fluctuations on polarization plateaus. The results reveal the presence of three distinct polarization plateaus, with critical and saturation electric fields, and demonstrate that the behavior of polarization plateaus is significantly impacted by variations in exchange coupling interactions and the crystalline field. These results could enhance our comprehension of the underlying physics of polarization in carbon-based ferrielectric nanotubes and can have important implications for the development of spintronic devices. These results suggest further research to explore potential applications in the field of nanoelectronics. [ABSTRACT FROM AUTHOR]

Evaluating the properties of the magnetocaloric material regenerators is a crucial step in order to exploit them subsequently as the working substances in magnetic cooling devices. So, the main objective of this latter is to evaluate the electronic, magnetic properties as well as the magnetocaloric effect of HoN compound. To do so, a combination of DFT study and Monte Carlo simulations has been performed on HoN compound which undergoes a second-order ferromagnetic-paramagnetic phase transition. For this material, the temperature-dependent total magnetization, heat capacity and magnetic susceptibility have been calculated and are revealed that the curie temperature is acceptable concurrence with the experimental value. Furthermore, it was showed that under an applied magnetic field of 5T, the magnetocaloric effect (MCE) in regard to the maximum value of magnetic entropy change Δ S m a g m a x around its Curie temperature, agree well with the experimental one. Besides, the relative cooling power (RCP) values are found to be 28.5, 162.2 and 227 J. Kg−1 under different magnetic fields of 1,3 and 5T. All findings which are presented in the present work indicate that the large values of RCP and Δ S m a g m a x found in HoN are interesting for low-temperature magnetic refrigeration with excellent performance. • We have studied the magnetocaloric effect of the HoN compound. • We used the ab-initio calculations, the Monte Carlo simulation to study the magnetic properties. • A second-order ferromagnetic-paramagnetic phase transition about 15 K. • The magnetic moment and the exchange coupling interactions are calculated. [ABSTRACT FROM AUTHOR]

Evaluating the properties of the magnetocaloric material regenerators is a crucial step in order to exploit them subsequently as the working substances in magnetic cooling devices. So, the main objective of this latter is to evaluate the electronic, magnetic properties as well as the magnetocaloric effect of HoN compound. To do so, a combination of DFT study and Monte Carlo simulations has been performed on HoN compound which undergoes a second-order ferromagnetic-paramagnetic phase transition. For this material, the temperature-dependent total magnetization, heat capacity and magnetic susceptibility have been calculated and are revealed that the curie temperature is acceptable concurrence with the experimental value. Furthermore, it was showed that under an applied magnetic field of 5T, the magnetocaloric effect (MCE) in regard to the maximum value of magnetic entropy change Δ S m a g m a x around its Curie temperature, agree well with the experimental one. Besides, the relative cooling power (RCP) values are found to be 28.5, 162.2 and 227 J. Kg−1 under different magnetic fields of 1,3 and 5T. All findings which are presented in the present work indicate that the large values of RCP and Δ S m a g m a x found in HoN are interesting for low-temperature magnetic refrigeration with excellent performance. • We have studied the magnetocaloric effect of the HoN compound. • We used the ab-initio calculations, the Monte Carlo simulation to study the magnetic properties. • A second-order ferromagnetic-paramagnetic phase transition about 15 K. • The magnetic moment and the exchange coupling interactions are calculated. [ABSTRACT FROM AUTHOR]

This study focuses on the dielectric responses of the B 3 6 nano-Borophene lattice, using Monte Carlo simulations. It explores the impact of various parameters, including temperature, the J SS coupling interaction, the crystal field D, and the impact of the longitudinal electric field E Z , on the dielectric characteristics of nano-Borophene. Simulation study results show that these parameters significantly influence the blocking temperature T B and modify the shape and area of the electrical hysteresis cycle. This research can make an important contribution to the understanding of dielectric phenomena, which is essential in fields such as high-temperature dielectric devices and other advanced technological applications. [ABSTRACT FROM AUTHOR]

This study employs comprehensive Monte Carlo simulations to gain detailed insights into the dielectric response of borophene core–shell structures. Key parameters, including exchange coupling interactions, external electric fields, temperature, and crystal fields, were systematically explored, providing a nuanced understanding of the system's behavior. The dynamics revealed by this study lays the foundation for future research, guiding efforts toward optimizing and customizing the dielectric properties of this structure. This exploration holds promise for potential applications tailored to sophisticated electronic devices. [ABSTRACT FROM AUTHOR]

This study utilizes Monte Carlo simulations based on the Metropolis algorithm to delve into the dielectric properties of a hexagonal boron nitride nanolattice with mixed spins S- 1 and σ- 7/2. Initially it displays the phase diagram of the structure. Then, it examines the impact of the coupling interaction J sσ , the external electric field E z and the crystal field D on the system's polarization, dielectric susceptibility and the blocking temperature T B. Furthermore, the research explores the influence of J σ , E z , D and T on the hysteresis cycles and the coercive electric field E c. The results reveal the distinguished dielectric properties of the hexagonal boron nitride nanolattice, which could be advantageous for a variety of nano-technological applications across flexible electronics, energy storage, nanophotonics, quantum computing, spintronics and sensing technologies. [ABSTRACT FROM AUTHOR]

This study employs first-principles calculations to investigate the magnetic properties of MnO when doped and co-doped with low concentrations of transition metals (TM) V, Cr and Ni. Using both local density (LDA), LDA + U and self-interaction-corrected local density (LDA-SIC) approximations, we observed half-metallic behavior in the modified MnO systems. Furthermore, a significant variation in the total density of states (DOS) was noted when nitrogen was incorporated into the doped MnO, transforming its behavior from non-half-metallic to distinctly half-metallic ferromagnetic. These findings provide novel insights into the potential use of doped and co-doped MnO in the development of advanced spintronic applications. • Studied MnO doping with V, Cr, Ni via first-principles calculations. • Analyzed magnetic properties using LDA and LDA-SIC. • Identified half-metallic behavior in doped MnO. • Nitrogen doping shifted DOS from non-half-metallic to half-metallic ferromagnetic. • Provided insights for spintronic device applications. [ABSTRACT FROM AUTHOR]

This research employs Monte Carlo simulations to explore the ground state phase diagrams, hysteresis cycles, and magnetization plateaus of hexagonal boron nitride-like system. Specifically, the ground state phase diagrams are meticulously analyzed with respect to the crystalline field (D), exchange coupling parameter ( J A B ), and external magnetic field (H), and are presented on the (D , H), (D , J A B ), and ( J A B , H) planes. The study observes various stable spin configurations for different parameter values. Furthermore, this investigation delves into the behavior of sublattices of the magnetization plateaus, under the influence of exchange coupling parameter ( J A B ), temperature (T), and the crystalline field (D). The outcomes of this study hold significant implications for the development of magnetic materials for diverse applications. [ABSTRACT FROM AUTHOR]

The paper presents a study on the magnetic characteristics of hexagonal boron nitride using Monte Carlo simulations through the Metropolis algorithm. The study used the Blume-Capel Ising model to analyze the behavior of magnetizations and susceptibilities under the effect of the temperature, mixed exchange coupling, crystalline and external magnetic fields. The results show that the blocking temperature, where the magnetic atoms become magnetically frozen, increases as the exchange coupling interaction becomes weaker and as the external magnetic field increases. The findings indicate that the blocking temperature of the system is significantly influenced by the physical parameters employed in this study. Besides, the investigation at hand could serve as a foundation for researchers to innovate novel categories of spintronics and magnetic memory devices, featuring enhanced performance and functionality. [ABSTRACT FROM AUTHOR]

• Structural, electronic, magnetic, elastic and optical aspects of SmCrO 3 have been calculated. • The study confirms the half-metallic nature of cubic phase of SmCrO 3. • The study confirms the semiconducting nature of orthorhombic phase of SmCrO 3. • Findings suggest SmCrO 3 potential applications in spintronics and as well as magnetic devices. Using a thorough DFT analysis, this work investigates the electronic, magnetic, elastic, and optical phenomena in the cubic and orthorhombic phases of SmCrO 3. The study explores the distinct qualities of both phases, such as their electronic features, magnetic behaviors, and elastic responses, using the GGA-PBE and mBJ-GGA-PBE methodologies. The study highlights the potential of SmCrO 3 cubic and orthorhombic structures in spintronics and magnetic device applications by confirming their half-metallic nature. A deeper understanding of the electronic structure and magnetic stability of the materials results from the intricate interplay of spin effects and thorough investigation of magnetic interactions. [ABSTRACT FROM AUTHOR]

This study investigates the dielectric behavior of a kesterite nanolattice using Monte Carlo simulations. The findings reveal the influence of exchange coupling interactions and the external electric field on the dielectric properties of the kesterite nanolattice. Furthermore, the results indicate a nearly linear correlation between the blocking temperature and both the exchange coupling interactions and the external electric field, underscoring their crucial role in manipulating the phase transitions of the nanolattice. These insights enhance our understanding of the kesterite nanolattice's performance and offer valuable directions for future research in mixed nanolattices for nanomaterial science and electrical device engineering. [ABSTRACT FROM AUTHOR]

• Monte Carlo Analysis of Graphene and Borophene. • Role of Physical Parameters in Magnetism. • Distinct Geometry Impact on Phase Transition. • Comparative Blocking Temperature (T B) Study. This study employs Monte Carlo simulations to investigate the magnetic characteristics of graphene and Borophene lattices, emphasizing various physical parameters. Temperature-dependent variations in magnetization and susceptibility reveal a transition from ferromagnetic to superparamagnetic states, characterized by the blocking temperature (T B). Borophene exhibits a higher T B than graphene, suggesting an easier phase transition in Graphene due to its distinct geometry. These findings provide valuable perspectives into the unique magnetic features of Graphene and Borophene lattices, guiding future advancements in materials and spintronics. [ABSTRACT FROM AUTHOR]