Investigating dielectric properties and vacancy effects in bismuthene nanosheets: a Monte Carlo study

IF 2.1 4区 材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Nanoparticle Research Pub Date : 2024-12-18 DOI:10.1007/s11051-024-06200-2
Z. Fadil, Chaitany Jayprakash Raorane, Hussein Sabbah, R. El Fdil, Abdulrahman A. AlSayyari, S. Saadaoui, Seong Cheol Kim
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Abstract

This study investigates the dielectric properties of bismuthene-like nanosheets using Monte Carlo simulations, focusing on the effects of external electric fields (Ez), linear coupling (Jσ), biquadratic coupling (K), crystal field (D), and vacancy (V) parameters. The results show that increasing the crystal field strength (|D|) and vacancy parameter (V) reduces the blocking temperature, while higher values of Ez, Jσ, and K lead to an approximately linear increase in the blocking temperature. These findings offer valuable insights into the complex interactions affecting the thermal and dielectric behavior of the nanosheets, providing new directions for future research in nanoscale materials.

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研究铋纳米片的介电性质和空位效应:蒙特卡罗研究
本研究利用蒙特卡罗模拟研究了类铋纳米片的介电性能,重点研究了外电场(Ez)、线性耦合(Jσ)、双二次耦合(K)、晶体场(D)和空位(V)参数对类铋纳米片介电性能的影响。结果表明,增大晶体场强(|D|)和空位参数(V)可降低阻挡温度,而增大Ez、Jσ和K值可导致阻挡温度近似线性升高。这些发现对影响纳米片热和介电行为的复杂相互作用提供了有价值的见解,为未来纳米材料的研究提供了新的方向。
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来源期刊
Journal of Nanoparticle Research
Journal of Nanoparticle Research 工程技术-材料科学:综合
CiteScore
4.40
自引率
4.00%
发文量
198
审稿时长
3.9 months
期刊介绍: The objective of the Journal of Nanoparticle Research is to disseminate knowledge of the physical, chemical and biological phenomena and processes in structures that have at least one lengthscale ranging from molecular to approximately 100 nm (or submicron in some situations), and exhibit improved and novel properties that are a direct result of their small size. Nanoparticle research is a key component of nanoscience, nanoengineering and nanotechnology. The focus of the Journal is on the specific concepts, properties, phenomena, and processes related to particles, tubes, layers, macromolecules, clusters and other finite structures of the nanoscale size range. Synthesis, assembly, transport, reactivity, and stability of such structures are considered. Development of in-situ and ex-situ instrumentation for characterization of nanoparticles and their interfaces should be based on new principles for probing properties and phenomena not well understood at the nanometer scale. Modeling and simulation may include atom-based quantum mechanics; molecular dynamics; single-particle, multi-body and continuum based models; fractals; other methods suitable for modeling particle synthesis, assembling and interaction processes. Realization and application of systems, structures and devices with novel functions obtained via precursor nanoparticles is emphasized. Approaches may include gas-, liquid-, solid-, and vacuum-based processes, size reduction, chemical- and bio-self assembly. Contributions include utilization of nanoparticle systems for enhancing a phenomenon or process and particle assembling into hierarchical structures, as well as formulation and the administration of drugs. Synergistic approaches originating from different disciplines and technologies, and interaction between the research providers and users in this field, are encouraged.
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