Magnetic properties of transition-metal atomic monolayer in nickel supercell: Density functional theory and Monte Carlo simulation

Aledealat, Khaled; Aladerah, Bilal; Obeidat, Abdalla

doi:10.1016/j.jmmm.2022.170173

Cited by 21 publications

(2 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Subsequent to this equilibration process, an equivalent number of steps for each spin configuration has been applied. The calculations of thermomagnetic properties are discussed in detail in our previous works [42][43][44][45].…”

Section: Calculations Detailsmentioning

confidence: 99%

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Aladerah,

Alrousan,

Gharaibeh

et al. 2024

Mater. Res. Express

Self Cite

View full text Add to dashboard Cite

A comprehensive computational exploration of the structural and thermomagnetic properties of Co2TiZ (Z=Al, Si, Ga, Ge, and Sn) Heusler alloys are conductedutilizing both density functional theory (DFT) and Monte Carlo simulations (MC). Our calculations revealed that the XA prototype consistently exhibited larger lattice parameters than the L21 structure. Furthermore, the investigation of exchange parameters uncovered distinct differences between the L21 and XA prototypes. The L21 structures consistently exhibited stronger Co-Co interactions, while the XA prototypes showcased more pronounced Co-Ti interactions. The calculated Curie temperatures (Tc) varied between the L21 and XA prototypes, highlighting the significance of atomic arrangement. The calculated critical temperature Tc of Co2TiAl exhibited variation depending on the structural prototype, and it is determined to be equal to 131K for the L21 prototype, while in the XA structure, it increases significantly to 248K. The higher Tc indicates improved thermal stability, expanding the material's operational range and making it suitable for applications that require magnetic functionality at higher temperatures.

show abstract

Section: Calculations Detailsmentioning

confidence: 99%

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Aladerah,

Alrousan,

Gharaibeh

et al. 2024

Mater. Res. Express

Self Cite

View full text Add to dashboard Cite

show abstract

“…Further details regarding the calculation of E MCA can be found at our previous works [46][47][48][49][50][51][52][53].…”

mentioning

confidence: 99%

Influence of substitutional defects on the structural and magnetic properties of barium hexaferrites

Aladerah,

Gharaibeh,

Obeidat

2023

Phys. Scr.

Self Cite

View full text Add to dashboard Cite

A computational analysis is conducted to understand the impact of Al and Sr substitutions on the structural and magnetic properties of M-type barium hexaferrite (BaFe12O19 or BFO). Al substitutions in BFO led to concentration-dependent increases in lattice parameters and magnetocrystalline anisotropy energy ( E MCA ), while the magnetic moment showed a decline. In contrast, Sr substitutions influenced the lattice differently, reducing parameters but enhancing both E MCA and the spin magnetic moment, especially under varying Coulomb interaction ( U eff ) conditions. It’s noteworthy that the E MCA value reached approximately 1.03 meV with full Sr substitution. Furthermore, SrFe12O19 (SFO) consistently outperformed BFO in terms of exchange interaction parameters. These findings offer valuable insights for the development and optimization of next-generation magnetic materials.

show abstract

Properties of cubic GdAlO3 perovskite under pressure: density functional theory and Monte Carlo simulations

Aladerah,

Alrousan,

Obeidat

et al. 2024

J Comput Electron

View full text Add to dashboard Cite

Magnetic properties of transition-metal atomic monolayer in nickel supercell: Density functional theory and Monte Carlo simulation

Cited by 21 publications

References 42 publications

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Influence of substitutional defects on the structural and magnetic properties of barium hexaferrites

Properties of cubic GdAlO3 perovskite under pressure: density functional theory and Monte Carlo simulations

Contact Info

Product

Resources

About

Magnetic properties of transition-metal atomic monolayer in nickel supercell: Density functional theory and Monte Carlo simulation

Cited by 21 publications

References 42 publications

Exploring the thermomagnetic behavior of Co2TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Exploring the thermomagnetic behavior of Co2TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Influence of substitutional defects on the structural and magnetic properties of barium hexaferrites

Properties of cubic GdAlO3 perovskite under pressure: density functional theory and Monte Carlo simulations

Contact Info

Product

Resources

About

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study

Exploring the thermomagnetic behavior of Co₂TiZ (Z=Al, Si, Ga, Ge, and Sn) alloys: a computational study