High Energy Product Of Mnbi By Field Annealing And Sn Alloying,
2019
University of Nebraska-Lincoln
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
Permanent-magnet materials are one cornerstone of today’s technology, abundant in disk drives, motors, medical equipment, wind gen- erators, and cars. A continuing challenge has been to reconcile high permanent-magnet performance with low raw-material costs. This work reports a Mn-Bi-Sn alloy exclusively made from inexpensive elements, exhibiting high values of Curie-temperature, magnetization, anisotropy, coercivity, and energy product. The samples are produced by field annealing of rapidly quenched Sn-containing MnBi alloys, where the improvement of the magnetic properties is caused by the substitutional occupancy of the 2c sites in the hexagonal NiAs structure by Sn. The substitution modifies the electronic structure of …
High Energy Product Of Mnbi By Field Annealing And Sn Alloying,
2019
University of Nebraska - Lincoln
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
Permanent-magnet materials are one cornerstone of today’s technology, abundant in disk drives, motors, medical equipment, wind generators, and cars. A continuing challenge has been to reconcile high permanent-magnet performance with low raw-material costs. This work reports a Mn-Bi-Sn alloy exclusively made from inexpensive elements, exhibiting high values of Curie-temperature, magnetization, anisotropy, coercivity, and energy product. The samples are produced by field annealing of rapidly quenched Sn-containing MnBi alloys, where the improvement of the magnetic properties is caused by the substitutional occupancy of the 2c sites in the hexagonal NiAs structure by Sn. The substitution modifies the electronic structure of the …
Comparative Study Of Topological Hall Effect And Skyrmions In Nimnin And Nimnga,
2019
University of Nebraska-Lincoln
Comparative Study Of Topological Hall Effect And Skyrmions In Nimnin And Nimnga, Wenyong Zhang, Balamurugan Balasubramanian, Ahsan Ullah, Rabindra Pahari, Xingzhong Li, Lanping Yue, Shah R. Valloppilly, Andrei Sokolov, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
A nonequilibrium rapid-quenching method has been used to fabricate NiMnIn and NiMnGa alloys that are chemically and morphologically similar but crystallographically and physically very different. NiMnGa crystallizes in a Ni2In-type hexagonal structure, whereas NiMnIn is a cubic Heusler alloy. Both alloys yield a topological Hall effect contribution corresponding to bubble-type skyrmion spin structures, but it occurs in much lower magnetic fields in NiMnIn as compared to NiMnGa. The effect is unrelated to net Dzyaloshinskii-Moriya interactions, which are absent in both alloys due to their inversion-symmetric crystal structures. Based on magnetic-force microscopy, we explain the difference between the two alloys by …
Structure And Magnetism Of Co2ge Nanoparticles,
2019
University of Delaware
Structure And Magnetism Of Co2ge Nanoparticles, Onur Tosun, Frank M. Abel, Balamurugan Balasubramanian, Ralph Skomski, David J. Sellmyer, George C. Hadjipanayis
Nebraska Center for Materials and Nanoscience: Faculty Publications
The structural and magnetic properties of Co2Ge nanoparticles (NPs) prepared by the cluster-beam deposition (CBD) technique have been investigated. As-made particles with an average size of 5.5 nm exhibit a mixture of hexagonal and orthorhombic crystal structures. Thermomagnetic measurements showed that the as-made particles are superparamagnetic at room temperature with a blocking temperature (TB) of 20 K. When the particles are annealed at 823 K for 12 h, their size is increased to 13 nm and they develop a new orthorhombic crystal structure, with a Curie temperature (TC) of 815 K. This …
Radiation Tolerance In Nano-Structured Crystalline Fe(Cr)/Amorphous Sioc Composite,
2019
University of Nebraska-Lincoln
Radiation Tolerance In Nano-Structured Crystalline Fe(Cr)/Amorphous Sioc Composite, Qing Su, Tianyao Wang, Lin Shao, Michael Nastasi
Nebraska Center for Materials and Nanoscience: Faculty Publications
The management of irradiation defects is one of key challenges for structural materials in current and future reactor systems. To develop radiation tolerant alloys for service in extreme irradiation environments, the Fe self-ion radiation response of nanocomposites composed of amorphous silicon oxycarbide (SiOC) and crystalline Fe(Cr) were examined at 10, 20, and 50 displacements per atom damage levels. Grain growth in width direction was observed to increase with increasing irradiation dose in both Fe(Cr) films and Fe(Cr) layers in the nanocomposite after irradiation at room temperature. However, compared to the Fe(Cr) film, the Fe(Cr) layers in the nanocomposite exhibited ~50% …
Magnetic And Magnetocaloric Properties Of Pr2-Xndxfe17 Ribbons,
2019
South Dakota State University
Magnetic And Magnetocaloric Properties Of Pr2-Xndxfe17 Ribbons, Bishnu Dahal, Parashu Kharel, Thomas Ott, Wenyong Zhang, Shah R. Valloppilly, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
The structural, magnetic and magnetocaloric properties of Fe deficient Pr2-xNdxFe17 (x = 0.5, 0.7) alloys prepared by arc-melting and melt- spinning have been investigated. The room temperature x-ray diffraction patterns show that the samples are nearly single-phase and crystallize in the rhombohedral Th2Zn17-type crystal structure. The Curie temperatures determined from the thermomagnetic curves are 302 K and 307 K for Pr1.5Nd0.5Fe17 and Pr1.3Nd0.7Fe17, respectively. The peak magnetic entropy change and the relative cooling power at field change of 50 kOe …
Quantum Phase Transition And Ferromagnetism In Co1+XSn,
2019
University of Nebraska - Lincoln
Quantum Phase Transition And Ferromagnetism In Co1+XSn, Rabindra Pahari, Balamurugan Balasubramanian, Rohit Pathak, Manh Coung Nguyen, Shah R. Valloppilly, Ralph Skomski, Arti Kashyap, Cai-Zhuang Wang, Kai-Ming Ho, George C. Hadjipanayis, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
The onset of ferromagnetism in cobalt-tin alloys is investigated experimentally and theoretically. The Co1+xSn alloys were prepared by rapid quenching from the melt and form a modified hexagonal NiAs-type crystal structure for 0.45 ≤ x ≤ 1. The magnetic behavior is described analytically and by density-functional theory using supercells and the coherent-potential approximation. The excess of Co concentration x, which enters the interstitial 2d sites in the hypothetical NiAs-ordered parent alloy CoSn, yields a Griffiths-like phase and, above a quantum critical point (xc ≈ 0.65), a quantum phase …
Theoretical Studies Of The Structure And Stability Of Metal Chalcogenide Crntem (1≤N≤6, 1≤M≤8) Clusters,
2019
Virginia Commonwealth University
Theoretical Studies Of The Structure And Stability Of Metal Chalcogenide Crntem (1≤N≤6, 1≤M≤8) Clusters, Fnu Sweta Prabha
Theses and Dissertations
In the presented work, first principle studies on electronic structure, stability, and magnetic properties of metal chalcogenide, CrnTem clusters have been carried out within a density functional framework using generalized gradient functions to incorporate the exchange and correlation effects. The energetic and electronic stability was investigated, and it was found that they are not always correlated as seen in the cluster Cr6Te8 which has smaller gap between its HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) and a high electron affinity of 3.39 eV indicating lower electronic stability whereas higher fragmentation …
Magnetoresistance In Non-Magnetic Semimetals And Quantum Wells,
2019
Northern Illinois University
Magnetoresistance In Non-Magnetic Semimetals And Quantum Wells, Jing Xu
Graduate Research Theses & Dissertations
Magnetic field induced resistance change is conventionally termed as magnetoresistance (MR), which is usually related to magnetism and plays crucial roles in applications such as sensors and storage devices. In a single-band nonmagnetic material, the semiclassical Boltzmann equation approach gives rise to a magnetic field independent resistivity. With the recent discovery of topological materials, extremely large magnetoresistance (XMR) and negative longitudinal magnetoresistance (NLMR) have been observed in a variety of materials. In this dissertation I investigated XMRs in the rare-earth monopnictides (LaSb and YSb), which are non-saturating with increasing magnetic field, accompanying with a turn-on temperature behavior of the magnetoresistivity. …
Electron Transport In One And Two Dimensional Materials,
2019
University at Albany, State University of New York
Electron Transport In One And Two Dimensional Materials, Samuel William Lagasse
Legacy Theses & Dissertations (2009 - 2024)
This dissertation presents theoretical and experimental studies in carbon nanotubes (CNTs), graphene, and van der Waals heterostructures. The first half of the dissertation focuses on cutting edge tight-binding-based quantum transport models which are used to study proton irradiation-induced single-event effects in carbon nanotubes [1], total ionizing dose effects in graphene [2], quantum hall effect in graded graphene p-n junctions [3], and ballistic electron focusing in graphene p-n junctions [4]. In each study, tight-binding models are developed, with heavy emphasis on tying to experimental data. Once benchmarked against experiment, properties of each system which are difficult to access in the laboratory, …
Development Of Nonlocal Green-Kubo Formalism With Applications To Coupled Heat And Mass Transport,
2019
University of Central Florida
Development Of Nonlocal Green-Kubo Formalism With Applications To Coupled Heat And Mass Transport, Kevin Fernando
Honors Undergraduate Theses
Nonlocal equations for coupled heat and mass transport are developed within the Green-Kubo formalism. Nonlocal thermal transport in Lennard-Jones solids is computed to establish the existence of semi-ballistic transport. Deviations from the diffusive theory are shown by comparing the Fourier transform of the response function from the nonlocal theory to that of the diffusive one. It is shown that the deviations from the local theory correspond to acoustic phonons, whose frequency dependence gives rise to the observed deviations from the local theory.
The Structural Information Filtered Features Potential For Machine Learning Calculations Of Energies And Forces Of Atomic Systems.,
2019
West Virginia University
The Structural Information Filtered Features Potential For Machine Learning Calculations Of Energies And Forces Of Atomic Systems., Jorge Arturo Hernandez Zeledon
Graduate Theses, Dissertations, and Problem Reports (ETD)
In the last ten years, machine learning potentials have been successfully applied to the study of crystals, and molecules. However, more complex materials like clusters, macro-molecules, and glasses are out reach of current methods. The input of any machine learning system is a tensor of features (the most universal type are rank 1 tensors or vectors of features), the quality of any machine learning system is directly related to how well the feature space describes the original physical system. So far, the feature engineering process for machine learning potentials can not describe complex material. The current methods are highly inefficient …
Straintronic Nanomagnetic Devices For Non-Boolean Computing,
2019
Virginia Commonwealth University
Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed
Theses and Dissertations
Nanomagnetic devices have been projected as an alternative to transistor-based switching devices due to their non-volatility and potentially superior energy-efficiency. The energy efficiency is enhanced by the use of straintronics which involves the application of a voltage to a piezoelectric layer to generate a strain which is ultimately transferred to an elastically coupled magnetostrictive nanomaget, causing magnetization rotation. The low energy dissipation and non-volatility characteristics make straintronic nanomagnets very attractive for both Boolean and non-Boolean computing applications. There was relatively little research on straintronic switching in devices built with real nanomagnets that invariably have defects and imperfections, or their adaptation …
Dimensionality Of Magnetism In Trirutile Cota2o6 And Its Derivatives,
2019
University of Texas at El Paso
Dimensionality Of Magnetism In Trirutile Cota2o6 And Its Derivatives, Raju Baral
Open Access Theses & Dissertations
In this thesis, we addressed the question of low dimensionality of trirutile compound CoTa2O6 and studied how the low dimensionality evolved with doping of Mg on Co-site. In order to study low dimensionality in CoTa2O6 and its derivative compounds Co1-xMgxTa2O6 (x = 0.1, 0.3, 0.5, 0.7, and 1), we used different techniques: X-ray diffraction, magnetic susceptibility, magnetization, specific heat and elastic neutron diffraction. We have addressed the question of low dimensional magnetism of CoTa2O6 by preparing phase-pure samples of the compound. In CoTa2O6 a broad feature is observed in magnetic susceptibility at 10 K and an antiferromagnetic phase transition is …
A Study Of Solvent Effects On The Ground And Excited States Of Endohedral Tri-Scandium Nitride C80 Fullerene Coupled With Zinc Phthalocyanine And Metal-Free Phthalocyanine Using Dft-Pcm Method,
2019
University of Texas at El Paso
A Study Of Solvent Effects On The Ground And Excited States Of Endohedral Tri-Scandium Nitride C80 Fullerene Coupled With Zinc Phthalocyanine And Metal-Free Phthalocyanine Using Dft-Pcm Method, Timilsina Prasad Timlsina
Open Access Theses & Dissertations
The photovoltaic active materials composed of endohedral metafullerene and phthalocyanine derivatives are known as excellent electron donor-acceptor pairs. The tri-metallic nitride endohedral C80 fullerene exhibits high absorption coefficients in the visible region of the spectrum and has similar electron-accepting abilities as that of C60 fullerene, which can allow for higher efficiencies in OPV devices. In this study, we examine the effect of solvent on the charge transfer excitation energies of Sc3N@C80-ZnPc and Sc3N@C80-H2Pc donor-acceptor molecular complexes. Three different solvents with different polarity - water, toluene, and acetone are used. The solvent is modeled as a polarizable continuum as implemented in …
Limitations Of Zt As A Figure Of Merit For Nanostructured Thermoelectric Materials,
2019
Purdue University
Limitations Of Zt As A Figure Of Merit For Nanostructured Thermoelectric Materials, Xufeng Wang, Mark Lundstrom
Department of Electrical and Computer Engineering Faculty Publications
Thermoelectric properties of nanocomposites are numerically studied as a function of average grain size or nanoparticle density by simulating the measurements as they would be done experimentally. In accordance with previous theoretical and experimental results, we find that the Seebeck coefficient, power factor and figure of merit, zT, can be increased by nanostructuring when energy barriers exist around the grain boundaries or embedded nanoparticles. When we simulate the performance of a thermoelectric cooler with the same material, however, we find that the maximum temperature difference is much less than expected from the given zT. This occurs because the …
Modelling Potential Fluctuations In Double Layer Graphene Systems As A Periodic Oscillation In Electron Density & Its Effect On Coulomb Drag,
2019
The University of Akron
Modelling Potential Fluctuations In Double Layer Graphene Systems As A Periodic Oscillation In Electron Density & Its Effect On Coulomb Drag, Ryan Bogucki
Williams Honors College, Honors Research Projects
An expression for the drag transresistivity in a graphene double layer system exhibiting potential fluctuations modelled as a periodic oscillation in electron density is derived. Our model starts from the Coulombic interaction and we derive the correlation between a sinusoidal fluctuation in electron density in the first layer and the induced electron density in the second layer. Previous models in the literature have employed an arbitrary correlation between each layer’s electron density, and the model presented is the first attempt in the literature to explicitly derive this correlation. Recent experiments have found that the drag transresistivity in graphene double layers …
Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3,
2019
University of Nebraska-Lincoln
Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Sean Knight, Zbigniew Galazka, Günther Wagner, Virginia Wheeler, Marko Tadjer, Ken Goto, Vanya Darakchieva
Department of Electrical and Computer Engineering: Faculty Publications
In this letter, we investigate a set of n-type single crystals of monoclinic symmetry β-Ga2O3 with different free electron concentration values by generalized far infrared and infrared spectroscopic ellipsometry. In excellent agreement with our previous model prediction, we find here by experiment that longitudinal-phonon-plasmon coupled modes are polarized either within the monoclinic plane or perpendicular to the monoclinic plane. As predicted, all modes change the amplitude and frequency with the free electron concentration. The most important observation is that all longitudinal-phonon-plasmon coupled modes polarized within the monoclinic plane continuously change their direction as a function of …
Unusual Perpendicular Anisotropy In Co2Tisi Films,
2019
University of Nebraska-Lincoln
Unusual Perpendicular Anisotropy In Co2Tisi Films, Yunlong Jin, Shah R. Valloppilly, Parashu R. Kharel, Rohit Pathak, Arti Kashyap, Ralph Skomski, David J. Sellmyer
David Sellmyer Publications
Thin films of Co2TiSi on MgO are investigated experimentally and theoretically. The films were produced by magnetron sputtering on MgO(001) and have a thickness of about 100 nm. As bulk Co2TiSi, they crystallize in the normal cubic Heusler (L21) structure, but the films are slightly distorted (c/a = 1.0014) and contain some antisite disorder. The films exhibit a robust perpendicular anisotropy of 0.5 MJ m−3. This result is surprising for several reasons. First, surface and interface anisotropies are too small to explain perpendicular anisotropy in such rather thick …
Noncollinear Spin Structure In Fe3+Xco3−Xti2 (X = 0, 2, 3) From Neutron Diffraction,
2019
University of Nebraska - Lincoln
Noncollinear Spin Structure In Fe3+Xco3−Xti2 (X = 0, 2, 3) From Neutron Diffraction, Haohan Wang, Balamurugan Balamurugan, Rabindra Pahari, Ralph Skomski, Yaohua Liu, Ashfia Huq, D. J. Sellmyer, Xiaoshan Xu
Xiaoshan Xu Papers
Neutron powder diffraction has been used to investigate the spin structure of the hard-magnetic alloy Fe3+xCo3−xTi2 (x = 0, 2, 3). The materials are produced by rapid quenching from the melt, they possess a hexagonal crystal structure, and they are nanocrystalline with crystallite sizes D of the order of 40 nm. Projections of the magnetic moment onto both the crystalline c axis and the basal plane were observed. The corresponding misalignment angle exhibits a nonlinear decrease with x, which we explain as a micromagnetic effect caused by Fe-Co site disorder. The underlying physics is a …
