4.5 Article

Influence of non-stoichiometry on the magnetic properties of magnetite nanoparticles

期刊

JOURNAL OF PHYSICS-CONDENSED MATTER
卷 20, 期 19, 页码 -

出版社

IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/20/19/195213

关键词

-

向作者/读者索取更多资源

In this study we investigate the magnetic properties of magnetite fine particles using Monte Carlo simulation in the framework of a core-shell model. A single-spin movement Metropolis dynamics was implemented to compute equilibrium averages. Calculations were performed on the basis of a three-dimensional classical Heisenberg Hamiltonian, with nearest magnetic neighbour interactions, and taking into account three different superexchange integrals associated to iron cations of tetrahedral and octahedral sites. The Hamiltonian includes a surface anisotropy term applied to surface ions, and cubic anisotropy for ions belonging to the core. Different diameters were considered in order to figure out different off-stoichiometric scenarios and the influence on the magnetic properties. Results reveal a well- defined power law particle size dependence of the Curie temperature, characterized by an exponent nu = 0.82( 5). No evidence for surface spin disorder was detected. Finally, susceptibility data reveal that the ferrimagnetic-to-paramagnetic transition occurs in a gradual fashion ascribed to a differentiated behaviour between the core and surface.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.5
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Nanoscience & Nanotechnology

Force-constant model for the vibrational modes in black-phosphorene and phosphorene nanoribbons (PNRs)

Oussama Boutahir, Souhail Lakhlifi, Sidi Abdelmajid Ait Abdelkader, Mourad Boutahir, Abdelhai Rahmani, Hassane Chadli, Jose Mejia-Lopez, Abdelali Rahmani

Summary: In this paper, a force constant model developed for Black phosphorene was presented to replicate the vibrational properties calculated from density functional theory. The results showed excellent agreement with experimental data from Raman spectroscopy measurements. By studying the impact of edges and widths on the vibrational properties of phosphorene nanoribbons, additional Raman modes related to ribbon width were observed and an equation for estimating ribbon width was proposed.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2021)

Article Chemistry, Physical

Structural stability, shape memory and mechanical properties of Fe/Ni core/shell nanorods

D. Mejia-Burgos, S. A. Berrios, J. Mazo-Zuluaga, J. Mejia-Lopez

Summary: In this study, an extensive molecular dynamics investigation was conducted on the thermomechanical properties of cylindrical Fe, Ni, and Fe/Ni core/shell nanowires under uniaxial tensile strain. The nanowires were found to be elastically softer than bulk iron, with a weakening effect observed as sample diameter increased. Additionally, shape memory effect was observed in Fe/Ni core/shell systems grown along specific crystal directions, making them potentially attractive for technical applications.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Physics, Condensed Matter

Structural modeling of ZnFe2O4 systems using Buckingham potentials with static molecular dynamics

Oscar A. Restrepo, Oscar Arnache, Johans Restrepo, Charlotte S. Becquart, Normand Mousseau

Summary: Using Buckingham potentials, the mechanical properties of zinc spinel ferrites were studied and the effects of pressure and randomness of Ze and Fe on their properties were analyzed. It was found that pressure affects the deformations and brittleness of the materials, and partial inverse spinels exhibit better ductility. The randomness of Ze and Fe plays an important role in the formation and stability of vacancies in the inverse spinel.

SOLID STATE COMMUNICATIONS (2022)

Article Chemistry, Multidisciplinary

Field-Driven Magnetic Phase Diagram and Vortex Stability in Fe Nanometric Square Prisms

Mauricio Galvis, Fredy Mesa, Johans Restrepo

Summary: This work investigates the zero temperature hysteretic properties of iron quadrangular nanoprisms and the size conditions for the formation of magnetic vortex states. A field-driven magnetic phase diagram is proposed based on different aspect ratios and free boundary conditions, where vortex states are found to be stable along the hysteresis loops. Micromagnetic simulations and topological charge calculations are used to validate the results.

NANOMATERIALS (2022)

Article Physics, Multidisciplinary

Correspondence between the Energy Equipartition Theorem in Classical Mechanics and Its Phase-Space Formulation in Quantum Mechanics

Esteban Marulanda, Alejandro Restrepo, Johans Restrepo

Summary: In classical physics, the energy per degree of freedom is the same, but in quantum mechanics, the energy is not equally distributed due to non-commutativity of observables and possible non-Markovian dynamics. We propose a correspondence between the classical energy equipartition theorem and its counterpart in quantum mechanics based on the Wigner representation. Additionally, we demonstrate that the classical result is recovered in the high-temperature regime.

ENTROPY (2023)

Article Chemistry, Physical

Experimental and theoretical study of synthesis and properties of Cu2O/TiO2 heterojunction for photoelectrochemical purposes

Felipe Matamala-Troncoso, Cesar Saez-Navarrete, Jose Mejia-Lopez, Griselda Garcia, Jose Rebolledo-Oyarce, Cuong Ky Nguyen, Douglas R. MacFarlane, Mauricio Isaacs

Summary: The formation mechanism of Cu2O/TiO2 heterojunction was studied by electrochemically depositing Cu2O molecules on TiO2 nanoparticles. The experimental results, combined with theoretical calculations, revealed the initial steps of Cu2O molecule formation on TiO2 nanoparticles. It was found that the formation of a Cu2O nanowire-like network on the TiO2 nanoparticle matrix promotes charge transfer at the electrolyte/semiconductor interface, enhancing the electrode behavior.

SURFACES AND INTERFACES (2023)

Article Multidisciplinary Sciences

Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni-Fe Segmented Cylindrical Nanodots with Tunable Size and Composition for Technological Applications

Ever A. Velasquez, Johann Mazo-Zuluaga, Jose Mejia-Lopez

Summary: This study discusses the magnetoresistance and magnetic properties of Ni-Fe bi-segmented cylindrical nanodots with different diameters and heights. The structural and magnetic relaxation effects are investigated using the density functional theory approach, and the magnetoresistance and magnetic behaviors are explored through atomistic simulations using the Fast Monte Carlo methodology. The convoluted magnetization reversal schemes are discussed based on the magnetic hysteresis and magnetoresistance signals, which are influenced by the size and shape effects induced by dipolar interactions and the interplay among exchange interactions.

ADVANCED THEORY AND SIMULATIONS (2023)

Article Multidisciplinary Sciences

Dynamical Stability and Physical Properties of Fe Dihalide Nanowires

Jose Mejia-Lopez, Sinhue Lopez-Moreno, Johann Mazo-Zuluaga, Pricila Betbirai Romero-Vazquez, Jose Luis Moran-Lopez

Summary: An extensive study on isolated FeX2 (X = F, Cl, Br, I) nanowires using first-principles and atomistic Monte Carlo simulations is presented. The results show that these nanowires crystallize in anti-ferromagnetic arrangement and belong to the space group P42/mmc, making them potentially promising materials for applications such as lithium-ion batteries.

ADVANCED THEORY AND SIMULATIONS (2023)

Article Mathematics, Interdisciplinary Applications

Numerical Study on Surface Reconstruction and Roughness of Magnetorheological Elastomers

Jose Antonio Valencia, Johans Restrepo, Hernan David Salinas, Elisabeth Restrepo

Summary: A methodology is developed to deform the surface of a magnetorheological elastomer (MRE) under the influence of an external magnetic field. The surface morphology of MREs is randomly generated using the Garcia and Stoll method. Deformations are induced by the translations of magnetic particles inside the elastomer, resulting in changes in surface roughness.

COMPUTATION (2023)

Article Nanoscience & Nanotechnology

Dynamic hysteretic properties and specific loss power of magnetic nanoparticles in a viscous medium at different thermal baths

J. C. Zapata, J. Restrepo

Summary: Simulations were performed on a system of magnetite single-domain magnetic nanoparticles in an aqueous colloidal suspension at various temperatures. The study focused on analyzing the magnetization response of the system to a time-dependent magnetic field at specific frequencies. The results showed that Brownian relaxation played a role in aligning the anisotropy axes with the external field, thereby enhancing the magnetic anisotropy and improving the remanence and squareness of the hysteresis loops.

AIP ADVANCES (2023)

Article Physics, Applied

EFFECT OF THE DIRECTION OF AN EXTERNAL APPLIED MAGNETIC FIELD ON THE MICROMAGNETIC PROPERTIES OF Fe CUBOIDS

Mauricio Galvis-Patino, Johans Restrepo-Cardenas

Summary: This study investigates the micromagnetic properties and magnetization dynamics of a system of Fe cuboids. It reveals that the coercive field decreases with increasing azimuthal angle and that magnetization diagrams indicate the presence of magnetic domains and walls in the plane. The energy graphs show the competition between different energy contributions along the hysteresis loops.

MOMENTO-REVISTA DE FISICA (2022)

Article Chemistry, Physical

Low-energy configurations of Pt6Cu6 clusters and their physical-chemical characterization: a high-accuracy DFT study

J. Mejia-Lopez, E. A. Velasquez, J. Mazo-Zuluaga

Summary: Based on many-body potentials, inertia tensors, and Density Functional Theory, a method is proposed to obtain the lowest energy states of any cluster system. The Pt6Cu6 cluster case is studied, revealing various isomers with significantly lower energy than the previously believed ground state. The oscillating behavior of global chemical descriptors, such as ionization potential, electron affinity, and chemical hardness, suggests higher deactivation rate by sintering processes and stronger adsorption of small molecules on higher energy isomers. The electronic, magnetic, anisotropy, vibrational, and thermal properties of these clusters are discussed, providing valuable information for future experiments and applications in catalysis, spintronics, molecular magnetism, and magnetic storage information.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Mathematics, Interdisciplinary Applications

Self-Adaptive Acceptance Rate-Driven Markov Chain Monte Carlo Method Applied to the Study of Magnetic Nanoparticles

Juan Camilo Zapata, Johans Restrepo

Summary: A canonical Markov Chain Monte Carlo method was used to study the hysteretic properties of a collection of magnetic nanoparticles with uniaxial magneto-crystalline anisotropy. The impact of acceptance rate on the magnetic properties was explored by analyzing magnetization behavior, revealing differences in blocked and superparamagnetic states for high and low acceptance rates. Additionally, the interplay between acceptance rate, temperature, hysteresis curves, and saturation processes was also discussed.

COMPUTATION (2021)

暂无数据