Magnetic blue shift of Mott gaps enhanced by double exchange

AbstractColloidal chemistry techniques were used to synthesize ZnO particles in the nanometer size regime. The particle aging kinetics were determined by monitoring the optical band edge absorption and using the effective mass model to approximate the particle size as a function of time. We show that the growth kinetics of the ZnO particles follow the Lifshitz, Slyozov, Wagner theory for Ostwald ripening. In this model, the higher curvature and hence chemical potential of smaller particles provides a driving force for dissolution. The larger particles continue to grow by diffusion limited transport of species dissolved in solution. Thin films were fabricated by constant current electrophoretic deposition (EPD) of the ZnO quantum particles from these colloidal suspensions. All the films exhibited a blue shift relative to the characteristic green emission associated with bulk ZnO. The optical characteristics of the particles in the colloidal suspensions were found to translate to the films.

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Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

10.26434/chemrxiv.12330866 ◽

2020 ◽

Author(s):

Jesse Park ◽

Brianna Collins ◽

Lucy Darago ◽

Tomce Runcevski ◽

Michael Aubrey ◽

...

Keyword(s):

Charge Transport ◽

Magnetic Order ◽

Metal Organic Framework ◽

Metal Organic Frameworks ◽

Magnetic Ordering ◽

Double Exchange ◽

Itinerant Ferromagnetism ◽

Organic Solids ◽

Metal Organic ◽

Organic Framework

Materials that combine magnetic order with other desirable physical attributes offer to revolutionize our energy landscape. Indeed, such materials could find transformative applications in spintronics, quantum sensing, low-density magnets, and gas separations. As a result, efforts to design multifunctional magnetic materials have recently moved beyond traditional solid-state materials to metal–organic solids. Among these, metal–organic frameworks in particular bear structures that offer intrinsic porosity, vast chemical and structural programmability, and tunability of electronic properties. Nevertheless, magnetic order within metal–organic frameworks has generally been limited to low temperatures, owing largely to challenges in creating strong magnetic exchange in extended metal–organic solids. Here, we employ the phenomenon of itinerant ferromagnetism to realize magnetic ordering at TC = 225 K in a mixed-valence chromium(II/III) triazolate compound, representing the highest ferromagnetic ordering temperature yet observed in a metal–organic framework. The itinerant ferromagnetism is shown to proceed via a double-exchange mechanism, the first such observation in any metal–organic material. Critically, this mechanism results in variable-temperature conductivity with barrierless charge transport below TC and a large negative magnetoresistance of 23% at 5 K. These observations suggest applications for double-exchange-based coordination solids in the emergent fields of magnetoelectrics and spintronics. Taken together, the insights gleaned from these results are expected to provide a blueprint for the design and synthesis of porous materials with synergistic high-temperature magnetic and charge transport properties.

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A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

10.26434/chemrxiv.7445939.v1 ◽

2018 ◽

Author(s):

Shannon Houck ◽

Nicholas Mayhall

Keyword(s):

Single Molecule ◽

Double Exchange ◽

Computational Effort ◽

Strongly Correlated ◽

Single Molecule Magnets ◽

New Approach ◽

Spin Flip ◽

Model Hamiltonian ◽

Simultaneous Existence ◽

Exchange Parameters

<div>Many multiconfigurational systems, such as single-molecule magnets, are difficult to study using traditional computational methods due to the simultaneous existence of both spin and spatial degeneracies. In this work, a new approach termed n-spin-flip Ionization Potential/Electron Affinity (nSF-IP or nSF-EA) is introduced which combines the spin-flip method of Anna Krylov with particle-number changing IP/EA methods. We demonstrate the efficacy of the approach by applying it to the strongly-correlated N2+ as well as several double exchange systems. We also demonstrate that when these systems are well-described by a double exchange model Hamiltonian, only 1SF-IP/EA is required to extract the double exchange parameters and accurately predict energies for the low-spin states. This significantly reduces the computational effort for studying such systems. The effects of including additional excitations (using a RAS-nSF-IP/EA scheme) are also examined, with particular emphasis on hole and particle excitations.</div>

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A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

10.26434/chemrxiv.7445939 ◽

2018 ◽

Author(s):

Shannon Houck ◽

Nicholas Mayhall

Keyword(s):

Single Molecule ◽

Double Exchange ◽

Computational Effort ◽

Strongly Correlated ◽

Single Molecule Magnets ◽

New Approach ◽

Spin Flip ◽

Model Hamiltonian ◽

Simultaneous Existence ◽

Exchange Parameters

<div>Many multiconfigurational systems, such as single-molecule magnets, are difficult to study using traditional computational methods due to the simultaneous existence of both spin and spatial degeneracies. In this work, a new approach termed n-spin-flip Ionization Potential/Electron Affinity (nSF-IP or nSF-EA) is introduced which combines the spin-flip method of Anna Krylov with particle-number changing IP/EA methods. We demonstrate the efficacy of the approach by applying it to the strongly-correlated N2+ as well as several double exchange systems. We also demonstrate that when these systems are well-described by a double exchange model Hamiltonian, only 1SF-IP/EA is required to extract the double exchange parameters and accurately predict energies for the low-spin states. This significantly reduces the computational effort for studying such systems. The effects of including additional excitations (using a RAS-nSF-IP/EA scheme) are also examined, with particular emphasis on hole and particle excitations.</div>

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Explaining the Blue Shift in Election Canvassing

SSRN Electronic Journal ◽

10.2139/ssrn.2653456 ◽

2015 ◽

Author(s):

Edward B. Foley ◽

Charles Stewart III

Keyword(s):

Blue Shift

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Explaining the Blue Shift in Election Canvassing

SSRN Electronic Journal ◽

10.2139/ssrn.3547734 ◽

2020 ◽

Author(s):

Edward B. Foley ◽

Charles Stewart III

Keyword(s):

Blue Shift

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Structural and morphological characterization of CdS nanoparticles

Current Physical Chemistry ◽

10.2174/1877946810999200730222025 ◽

2020 ◽

Vol 10 ◽

Author(s):

Manish Dwivedi ◽

Vijay Tripathi ◽

Dhruv Kumar ◽

Dwijendra K. Gupta

Keyword(s):

Blue Shift ◽

Chemical Precipitation ◽

Morphological Characterization ◽

Precipitation Method ◽

Cds Nanoparticles ◽

Cubic Phase ◽

Simple Chemical ◽

Xrd Patterns ◽

Average Size ◽

Physical Tools

Aims: CdS nanoparticles are an attractive material having application in various field like as pigment in paints, biotag for bioimaging and many more optoelectronic as well as biological applications. Present study aims to synthesize and characterize the CdS nanoparticles to make it applicable in different areas Objectives: Preparation CdS nanoparticles by using simple and facile chemical methods and further physical and structural characterization using various physical tools Methods: In present work CdS nanoparticles has been synthesized by using rationally simple chemical precipitation method with some modi-fication on temperature and incubation time in existed methods. Characterizations were done by employing XRD, SEM, TEM, AFM tech-niques Results: Simple chemical method produces the CdS nanoparticles with the size about 100-200 nm in length and 5-10 nm in diameter. The SEM studies show that the CdS nanoparticles can agglomerate and form a continuous network like structure. The X-ray diffraction (XRD) measurements show the single-phase formation of CdS nanoparticles with the structure of cubic phase, and the broadening of XRD patterns indicates that the prepared samples are nanostructured. Our analysis on CdS nanoparticles by using transmission electron microscope and atomic force microscope (AFM) revealed that the nanoparticles form both spherical and nearly rod shaped with the average size applicable for biotagging. UV-Vis spectroscopic analysis reveals blue shift in the absorption peak probably caused by quantum confinement Conclusion: The observed CdS nanoparticles were appeared yellow in color. The XRD pattern of the CdS nanoparticles showed that the materials were of nanometric sized regime with a predominantly cubic phase along with the rod and round morphology. The study and char-acterization of CdS nanoparticles will bring us a new approach to understand biological problem by tagging nanoparticles with biomolecules and further suggests that the CdS nanoparticles formulate it more suitable biocompatible nanomaterial for biotagging and bioimaging

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Controlled Synthesis of CuS and Cu9S5 and Their Application in the Photocatalytic Mineralization of Tetracycline

Catalysts ◽

10.3390/catal11080899 ◽

2021 ◽

Vol 11 (8) ◽

pp. 899

Author(s):

Murendeni P. Ravele ◽

Opeyemi A. Oyewo ◽

Damian C. Onwudiwe

Keyword(s):

Electron Microscopy ◽

Visible Light ◽

Blue Shift ◽

X Ray Diffraction ◽

X Ray ◽

Copper Sulfides ◽

Transmission Electron ◽

Single Source Precursor ◽

Pure Phase ◽

Pure Phases

Pure-phase Cu2−xS (x = 1, 0.2) nanoparticles have been synthesized by the thermal decomposition of copper(II) dithiocarbamate as a single-source precursor in oleylamine as a capping agent. The compositions of the Cu2−xS nanocrystals varied from CuS (covellite) through the mixture of phases (CuS and Cu7.2S4) to Cu9S5 (digenite) by simply varying the temperature of synthesis. The crystallinity and morphology of the copper sulfides were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), which showed pure phases at low (120 °C) and high (220 °C) temperatures and a mixture of phases at intermediate temperatures (150 and 180 °C). Covellite was of a spherical morphology, while digenite was rod shaped. The optical properties of these nanocrystals were characterized by UV−vis–NIR and photoluminescence spectroscopies. Both samples had very similar absorption spectra but distinguishable fluorescence properties and exhibited a blue shift in their band gap energies compared to bulk Cu2−xS. The pure phases were used as catalysts for the photocatalytic degradation of tetracycline (TC) under visible-light irradiation. The results demonstrated that the photocatalytic activity of the digenite phase exhibited higher catalytic degradation of 98.5% compared to the covellite phase, which showed 88% degradation within the 120 min reaction time using 80 mg of the catalysts. The higher degradation efficiency achieved with the digenite phase was attributed to its higher absorption of the visible light compared to covellite.

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