A Monte Carlo Study of Molecular Spintronics Devices

2013 ◽  
Author(s):  
Pawan Tyagi ◽  
Christopher D’Angelo
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Exchange Coupling ◽  
Coupling Effect ◽  
Experimental Studies ◽  
Magnetic Molecules ◽  
Molecular Spintronics ◽  
Ferromagnetic Electrodes ◽  
Wide Range ◽  
And Control

Molecular spintronics devices (MSDs) are capable of harnessing the controllable transport and magnetic properties of molecular device elements and are highly promising candidates for revolutionizing computer logic and memory. These advanced MSD can enable the next generation of instrumentation and control devices for the wide range of mechanical engineering systems. A MSD is typically produced by placing magnetic molecule(s) between the two ferromagnetic electrodes. Recent experimental studies show that some magnetic molecules produced unprecedented strong exchange couplings between the two ferromagnetic electrodes, leading to intriguing magnetic and transport properties in a MSD. Future development of MSDs will critically depend on obtaining an in-depth understanding of the molecule induced exchange coupling, and its impact on MSD’s switchability, functional temperature range, stability etc. However, the large size of MSD systems and unsuitable device designs are the two biggest hurdles in theoretical and experimental studies of magnetic attributes produced by molecules in a MSD. This research theoretically studies the MSD by performing Monte Carlo simulations (MCS). The effect of magnetic molecule induced exchange coupling was studied at different temperature and for different device sizes — represented by a 2D Ising model. Our MCS shows that thermal energy of the MSD strongly influenced the molecular coupling effect. We studied the effect of a wide range of molecule-metal electrode couplings on the fundamental properties of MSDs. If molecules induced exchange coupling increased beyond a threshold limit a MSD acquired dramatically new attributes. Our MCS exhibited that the transition points in MSD’s magnetic properties was the interplay of temperature and molecular coupling strength. These simulations will allow the understanding of fundamental device mechanisms behind the functioning of novel MSDs. Our MSD model represents a myriad of magnetic molecules and ferromagnets combinations promising for realizing experimental MSDs. These MCS will also assist in designing new class of MSDs with desired attributes for advanced computers and control systems.

scholarly journals Monte Carlo and Experimental Magnetic Studies of Molecular Spintronics Devices

NANO ◽  
2015 ◽  
Vol 10 (04) ◽  
pp. 1550056 ◽  
Author(s):  
Pawan Tyagi ◽  
Christopher D'Angelo ◽  
Collin Baker
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Coupling Effect ◽  
Experimental Studies ◽  
Magnetic Tunnel Junction ◽  
Magnetic Interactions ◽  
Magnetic Studies ◽  
Magnetic Molecules ◽  
Wide Range ◽  
Different Temperatures

Molecule-based spintronics devices (MSDs) are highly promising candidates for discovering advanced logic and memory computer units. An advanced MSD will require the placement of paramagnetic molecules between the two ferromagnetic (FM) electrodes. Due to extreme fabrication challenges, only a couple of experimental studies could be performed to understand the effect of magnetic molecules on the overall magnetic and transport properties of MSDs. To date, theoretical studies mainly focused on charge and spin transport aspects of MSDs; there is a dearth of knowledge about the effect of magnetic molecules on the magnetic properties of MSDs. This paper investigates the effect of magnetic molecules, with a net spin, on the magnetic properties of 2D MSDs via Monte Carlo (MC) simulations. Our MC simulations encompass a wide range of MSDs that can be realized by establishing different kinds of magnetic interactions between molecules and FM electrodes at different temperatures. The MC simulations show that ambient thermal energy strongly influenced the molecular coupling effect on the MSD. We studied the nature and strength of molecule couplings (FM and antiferromagnetic) with the two electrodes on the magnetization, specific heat and magnetic susceptibility of MSDs. For the case when the nature of molecule interaction was FM with one electrode and antiferromagnetic with another electrode the overall magnetization shifted toward zero. In this case, the effect of molecules was also a strong function of the nature and strength of direct coupling between FM electrodes. In the case when molecules make opposite magnetic couplings with the two FM electrodes, the MSD model used for MC studies resembled with the magnetic tunnel junction based MSD. The experimental magnetic studies on these devices are in agreement with our theoretical MC simulations results. Our MC simulations will enable the fundamental understanding and designing of a wide range of novel spintronics devices utilizing a variety of molecules, nanoclusters and quantum dots as the device elements.

scholarly journals A comprehensive Monte Carlo study to design a novel multi-nanoparticle loaded nanocomposites for augmentation of attenuation coefficient in the energy range of diagnostic X-rays

2021 ◽  
Vol 27 (4) ◽  
pp. 279-289
Author(s):  
Elahe Sayyadi ◽  
Asghar Mesbahi ◽  
Reza Eghdam Zamiri ◽  
Farshad Seyyed Nejad
Keyword(s):  
Monte Carlo ◽  
Energy Range ◽  
Radiation Protection ◽  
Experimental Studies ◽  
Rubber Matrix ◽  
Photon Flux ◽  
Monte Carlo Code ◽  
X Rays ◽  
Wide Range ◽  
Shielding Properties

Abstract Introduction: The present study aimed to investigate the radiation protection properties of silicon-based composites doped with nano-sized Bi2O3, PbO, Sm2O3, Gd2O3, WO3, and IrO2 particles. Radiation shielding properties of Sm2O3 and IrO2 nanoparticles were investigated for the first time in the current study. Material and methods: The MCNPX (2.7.0) Monte Carlo code was utilized to calculate the linear attenuation coefficients of single and multi-nano structured composites over the X-ray energy range of 10–140 keV. Homogenous distribution of spherical nanoparticles with a diameter of 100 nm in a silicon rubber matrix was simulated. The narrow beam geometry was used to calculate the photon flux after attenuation by designed nanocomposites. Results: Based on results obtained for single nanoparticle composites, three combinations of different nano-sized fillers Sm2O3+WO3+Bi2O3, Gd2O3+WO3+Bi2O3, and Sm2O3+WO3+PbO were selected, and their shielding properties were estimated. In the energy range of 20-60 keV Sm2O3 and Gd2O3 nanoparticles, in 70-100 keV energy range WO3 and for photons energy higher than 90 keV, PbO and Bi2O3 nanoparticles showed higher attenuation. Despite its higher density, IrO2 had lower attenuation compared to other nanocomposites. The results showed that the nanocomposite containing Sm2O3, WO3, and Bi2O3 nanoparticles provided better shielding among the studied samples. Conclusions: All studied multi-nanoparticle nanocomposites provided optimum shielding properties and almost 8% higher attenuation relative to single nano-based composites over a wide range of photon energy used in diagnostic radiology. Application of these new composites is recommended in radiation protection. Further experimental studies are suggested to validate our findings.

PHASE EVOLUTION AND MAGNETIC PROPERTIES OF TbCu7-TYPE (Sm, Pr)Co7-xHfxMy (x = 0-0.5; y = 0-0.14) RIBBONS

2009 ◽  
Vol 23 (06n07) ◽  
pp. 1663-1669 ◽  
Author(s):  
H. W. Chang ◽  
S. T. Huang ◽  
I. W. Chen ◽  
C. W. Chang ◽  
W. C. Chang
Keyword(s):  
Magnetic Properties ◽  
Magnetic Anisotropy ◽  
Exchange Coupling ◽  
Coupling Effect ◽  
Anisotropy Field ◽  
Phase Evolution ◽  
Phase Constitution ◽  
Melt Spun

The effects of Hf substitution and C content on the magnetic properties, phase evolution, and microstructure of melt spun ( Sm , Pr ) Co 7- x Hf x C y ( x = 0-0.5; y = 0-0.14) ribbons have been studied. A proper Hf substitution is helpful not only in stabilizing 1:7 phase but also in enhancing its magnetic anisotropy field. As a result, magnetic properties of B r = 6.4 kG , i H c = 7.3 kOe and ( BH ) max = 8.7 MGOe for SmCo 6.9 Hf 0.1 ribbons are obtained. Besides, a small amount of C addition in the ribbons could slightly modify phase constitution and effectively refine their microstructure to strengthen the exchange coupling effect between magnetic grains. Furthermore, a slight Pr substitution for Sm may further increase the magnetization and the magnetic properties of the ribbons. The optimal magnetic properties of B r = 7.1 kG , i H c = 8.5 kOe and ( BH ) max = 11.2 MGOe could be achieved for the directly quenched Sm 0.8 Pr 0.2 Co 6.9 Hf 0.1 C 0.12 ribbons.

Magnetic Properties Study of the Nano-Alloy Fe1+xCo1−x by Monte-Carlo Simulations

SPIN ◽  
2019 ◽  
Vol 09 (01) ◽  
pp. 1950002 ◽  
Author(s):  
I. El Housni ◽  
H. Labrim ◽  
N. El Mekkaoui ◽  
S. Idrissi ◽  
R. Khalladi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Monte Carlo Simulations ◽  
Phase Diagrams ◽  
Ground State ◽  
Exchange Coupling ◽  
Hysteresis Loops ◽  
Metropolis Algorithm ◽  
Spintronic Devices ◽  
Temperature Exchange

Motivated by spintronic devices and their applications, we engineer a model to investigate the magnetic properties of the magnetic nano-alloy Fe[Formula: see text]Co[Formula: see text]. Where [Formula: see text] is the fraction of iron atoms Fe substituted by the cobalt Co atoms, [Formula: see text] corresponds to 50% Fe atoms and 50% Co atoms, this compound is then called equiatomic FeCo. The purpose of this work is to apply the Monte-Carlo Simulations (MCS), under Metropolis algorithm to predict the magnetic properties of such system. In a first step, we propose a model describing this system including different exchange coupling interactions. Then, we establish and analyze the ground state phase diagrams, in different planes. For non-null temperature values, applied MCS under the Metropolis algorithm. The behavior of both the magnetizations and the susceptibilities are illustrated as a function of temperature. Also the effect of the different exchange coupling interactions is studied and discussed. The hysteresis loops are presented and analyzed for specific values of temperature, exchange coupling interactions and concentrations.

scholarly journals Nanocrystalline Nd-Fe-B Alloys for Polymer-Bonded Magnets Production

2012 ◽  
Vol 2012 ◽  
pp. 1-6
Author(s):  
Aleksandar Grujić ◽  
Vladan Ćosović ◽  
Aleksandar Ćosović ◽  
Jasna Stajić-Trošić
Keyword(s):  
Magnetic Properties ◽  
Exchange Coupling ◽  
Magnetic Phase ◽  
Coupling Effect ◽  
Maximum Energy ◽  
Soft Magnetic ◽  
Nanocomposite Structure ◽  
Maximum Energy Product ◽  
Energy Product ◽  
Composite Production

This study presents how different nanostructures of starting Nd-Fe-B particles have influence on magnetic properties of polymer-bonded Nd-Fe-B materials. Two types of nanocrystalline Nd-Fe-B alloys were used for polymer composite production by compression molding technique. The particles with low neodymium content (Nd-low) have nanocomposite structure with small exchange coupling effect between hard and soft magnetic phase. In other hand, practically monophase hard magnetic structure of Nd-Fe-B particles with stoichiometric neodymium content (Nd-stoich) shows improved magnetic properties. With increasing concentration of polymer matrix, the coercivity (Hcb), remanence (Br), and maximum energy product ((BH)max) decrease more prominenty for composites with stoichiometric Nd-Fe-B content.

scholarly journals Nanocomposite permanent magnetic materials Nd-Fe-B type: The influence of nanocomposite on magnetic properties

2005 ◽  
Vol 41 (1) ◽  
pp. 95-102 ◽  
Author(s):  
Nadezda Talijan ◽  
Jasna Stajic-Trosic ◽  
Aleksandar Grujic ◽  
Vladan Cosovic ◽  
Vladimir Menushenkov ◽  
...  
Keyword(s):  
Magnetic Material ◽  
Heat Treatment ◽  
Magnetic Properties ◽  
Permanent Magnet ◽  
Exchange Coupling ◽  
Coupling Effect ◽  
Soft Magnetic ◽  
Magnetic Phases ◽  
New Type ◽  
Permanent Magnet Materials

The influence on the magnetic properties of nanocristalline ribbons and powders has character of microstructure, between others ? the grain size volume of hard and soft magnetic phases and their distribution. Magnetic properties of ribbons and powders depend mainly on their chemical composition and parameters of their heat treatment [1]. Technology of magnets from nanocristalline ribbon consists of the following process: preparing the Nd-Fe- B alloy, preparing the ribbon, powdering of the ribbon, heat treatment of the powder and finally preparing the magnets. Nanocomposite permanent magnet materials based on Nd-Fe- B alloy with Nd low content are a new type of permanent magnetic material. The microstructure of this nanocomposite permanent magnet is composed of a mixture of magnetically soft and hard phases which provide so called exchange coupling effect.

scholarly journals Molecular coupling competing with defects within insulator of the magnetic tunnel junction-based molecular spintronics devices

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Pawan Tyagi ◽  
Hayden Brown ◽  
Andrew Grizzle ◽  
Christopher D’Angelo ◽  
Bishnu R. Dahal
Keyword(s):  
Tunnel Junction ◽  
Magnetic Tunnel Junction ◽  
Tunnel Barrier ◽  
Molecular Device ◽  
Molecular Spintronics ◽  
Ferromagnetic Electrodes ◽  
Covalently Bonded ◽  
Wide Range ◽  
Device Properties ◽  
Theoretical Simulations

AbstractNearly 70 years old dream of incorporating molecule as the device element is still challenged by competing defects in almost every experimentally tested molecular device approach. This paper focuses on the magnetic tunnel junction (MTJ) based molecular spintronics device (MTJMSD) method. An MTJMSD utilizes a tunnel barrier to ensure a robust and mass-producible physical gap between two ferromagnetic electrodes. MTJMSD approach may benefit from MTJ's industrial practices; however, the MTJMSD approach still needs to overcome additional challenges arising from the inclusion of magnetic molecules in conjunction with competing defects. Molecular device channels are covalently bonded between two ferromagnets across the insulating barrier. An insulating barrier may possess a variety of potential defects arising during the fabrication or operational phase. This paper describes an experimental and theoretical study of molecular coupling between ferromagnets in the presence of the competing coupling via an insulating tunnel barrier. We discuss the experimental observations of hillocks and pinhole-type defects producing inter-layer coupling that compete with molecular device elements. We performed theoretical simulations to encompass a wide range of competition between molecules and defects. Monte Carlo Simulation (MCS) was used for investigating the defect-induced inter-layer coupling on MTJMSD. Our research may help understand and design molecular spintronics devices utilizing various insulating spacers such as aluminum oxide (AlOx) and magnesium oxide (MgO) on a wide range of metal electrodes. This paper intends to provide practical insights for researchers intending to investigate the molecular device properties via the MTJMSD approach and do not have a background in magnetic tunnel junction fabrication.

HIGH MAGNETIC PROPERTIES OF TbCu7-TYPE MELT SPUN (Sm, Pr)Co7-xHfxCy RIBBONS

2008 ◽  
Vol 01 (03) ◽  
pp. 183-187 ◽  
Author(s):  
H. W. CHANG ◽  
S. T. HUANG ◽  
I. W. CHEN ◽  
C. W. CHANG ◽  
W. C. CHANG
Keyword(s):  
Magnetic Properties ◽  
Magnetic Anisotropy ◽  
Exchange Coupling ◽  
Coupling Effect ◽  
Anisotropy Field ◽  
Phase Evolution ◽  
Phase Constitution ◽  
Melt Spun

The effects of Hf substitution and C content on the magnetic properties, phase evolution and microstructure of melt spun ( Sm , Pr ) Co 7-x Hf x C y (x = 0–0.5; y = 0–0.14) ribbons have been studied. A proper Hf substitution is helpful not only in stabilizing 1:7 phase but also in enhancing its magnetic anisotropy field, as a result, magnetic properties of B r = 6.4 kG , i H c = 7.3 kOe and (BH) max = 8.7 MGOe for SmCo 6.9 Hf 0.1 ribbons are obtained. Besides, a small amount of C addition in the ribbons could slightly modify phase constitution and effectively refine their microstructure to strengthen the exchange coupling effect between magnetic grains. It leads to the improvement of the magnetic properties for SmCo 6.8 Hf 0.2 C 0.12 nanocomposites. Finally, a slight Pr substitution for Sm may further increase the magnetization and the magnetic properties, the optimal magnetic properties of B r = 7.1 kG , i H c = 8.5 kOe and (BH) max = 11.2 MGOe could be achieved for the directly quenched Sm 0.8 Pr 0.2 Co 6.9 Hf 0.1 C 0.12 ribbons.

Modeling of Size Effects in Diffusion Driven Processes at Nanoscale - Large Atomic and Mesoscale Methods

2017 ◽  
Vol 12 ◽  
pp. 38-73
Author(s):  
Tomasz Wejrzanowski ◽  
Krzysztof Jan Kurzydlowski
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Free Surface ◽  
Size Effects ◽  
Experimental Studies ◽  
High Energy ◽  
Intergranular Phase ◽  
Wide Range ◽  
Microstructure Effect

The results of the studies presented here are devoted to understanding of microstructure effect on the processes and properties driven by diffusion. The role of various interfaces (intergranular, phase, free surface), as the high-energy defects, is underlined and investigated with special attention. The methodology relevant to analyses of the microstructural processes is first briefly presented. The capability and limitations of classical molecular dynamics, mesoscale Monte Carlo and cellular automaton techniques are described. Two examples of the diffusion driven processes analyzed at various length and time scale are shown: namely, grain growth in nanometallic materials and melting of thin embedded films. The modeling results are also accompanied with experimental studies. Thanks to application of numerical methods, models of relevant processes were proposed, which enabled to provide quantitative relationships between microstructure and the process kinetics. Such relationships can be later used for design of optimized materials for wide range of applications.

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