Atomic, Molecular and Optical Physics Commons^™

Ferroelectric Domain Wall Memristor, James P. V. Mcconville, Haidong Lu, Bo Wang, Yueze Tan, Charlotte Cochard, Michele Conroy, Kalani Moore, Alan Harvey, Ursel Bangert, Long-Qing Chen, Alexei Gruverman, J. M. Gregg

Alexei Gruverman Publications

A domain wall-enabled memristor is created, in thin film lithium niobate capacitors, which shows up to twelve orders of magnitude variation in resistance. Such dramatic changes are caused by the injection of strongly inclined conducting ferroelectric domain walls, which provide conduits for current flow between electrodes. Varying the magnitude of the applied electric-field pulse, used to induce switching, alters the extent to which polarization reversal occurs; this systematically changes the density of the injected conducting domain walls in the ferroelectric layer and hence the resistivity of the capacitor structure as a whole. Hundreds of distinct conductance states can be produced, …

Chiral Magnetism And High-Temperature Skyrmions In B20-Ordered Co-Si, Balamurugan Balasubramanian, Priyanka Manchanda, Rabindra Pahari, Zhen Chen, Wenyong Zhang, Shah R. Valloppilly, Xingzhong Li, Anandakumar Sarella, Lanping Yue, Ahsan Ullah, Pratibha Dev, David A. Muller, Ralph Skomski, George C. Hadjipanayis, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Magnets with chiral crystal structures and helical spin structures have recently attracted much attention as potential spin-electronics materials, but their relatively low magnetic-ordering temperatures are a disadvantage. While cobalt has long been recognized as an element that promotes high-temperature magnetic ordering, most Co-rich alloys are achiral and exhibit collinear rather than helimagnetic order. Crystallographically, the B20-ordered compound CoSi is an exception due to its chiral structure, but it does not exhibit any kind of magnetic order. Here, we use nonequilibrium processing to produce B20-ordered Co_1+xSi_1−x with a maximum Co solubility of x = 0.043. Above a critical …

Rod-Shape Theranostic Nanoparticles Facilitate Antiretroviral Drug Biodistribution And Activity In Human Immunodeficiency Virus Susceptible Cells And Tissues, Bhavesh D. Kevadiya, Brendan Ottemann, Insiya Z. Mukadam, Laura Castellanos, Kristen Sikora, James R. Hilaire, Jatin Machhi, Jonathan Herskovitz, Dhruvkumar Soni, Mahmudul Hasan, Wenting Zhang, Anandakumar Sarella, Jered Garrison, Joellyn Mcmillan, Benson Edagwa, R. Lee Mosley, Richard W. Vachet, Howard E. Gendelman

Nebraska Center for Materials and Nanoscience: Faculty Publications

Human immunodeficiency virus theranostics facilitates the development of long acting (LA) antiretroviral drugs (ARVs) by defining drug-particle cell depots. Optimal drug formulations are made possible based on precise particle composition, structure, shape and size. Through the creation of rod-shaped particles of defined sizes reflective of native LA drugs, theranostic probes can be deployed to measure particle-cell and tissue biodistribution, antiretroviral activities and drug retention.

Methods: Herein, we created multimodal rilpivirine (RPV) ¹⁷⁷lutetium labeled bismuth sulfide nanorods (¹⁷⁷LuBSNRs) then evaluated their structure, morphology, configuration, chemical composition, biological responses and adverse reactions. Particle biodistribution was analyzed by single …

Svat4: A Computer Program For Visualization And Analysis Of Crystal Structures, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

SVAT4 is a computer program for interactive visualization of three-dimensional crystal structures, including chemical bonds and magnetic moments. A wide range of functions, e.g. revealing atomic layers and polyhedral clusters, are available for further structural analysis. Atomic sizes, colors, appearance, view directions and view modes (orthographic or perspective views) are adjustable. Customized work for the visualization and analysis can be saved and then reloaded. SVAT4 provides a template to simplify the process of preparation of a new data file. SVAT4 can generate high-quality images for publication and animations for presentations. The usability of SVAT4 is broadened by a software suite …

Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka

Dissertations, Master's Theses and Master's Reports

First-principles calculations are performed on γ-FeSi₂ nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi₂) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …

Vanadyl Tetrabutyltetrakis(Dimethylamino) Phthalocyanine Based Thin Films For Organic Sensor And Transistor Applications, Nur Adilah Roslan

Student Works (2020-2029)

Organic electronic devices have been successively making progress into the commercial market to substitute conventional inorganic electronic devices. The endeavor to improve the performance displayed by organic semiconductor materials has urged a substantial number of researchers set to seek new materials. Metal phthalocyanines (MPcs), in particular, have garnered much attention due to their enticing benefits viz., cost efficiency, eco-friendly organic material, as well as thermal and chemical stability. Primarily, this study investigated the physical, morphological, optical, and electrical properties of vanadyl 3,10,17,24-tetra-tert-butyl-1,8,15,22-tetrakis(dimethylamino)-29H,31H-phthalocyanine or synonymously known as vanadyl tetrabutyltetrakis (dimethylamino) phthalocyanine (VTP). Subsequently, this study looked into the potential applications of …

Generation And Stability Of Structurally Imprinted Target Skyrmions In Magnetic Multilayers, Noah Kent, Robert Streubel, Charles Henri Lambert, Alejandro Ceballos, Soong Gun Je, Scott Dhuey, Mi Young Im, Felix Büttner, Frances Hellman, Sayeef Salahuddin, Peter Fischer

Robert Streubel Papers

Target Skyrmions (TSks) are extended topological spin textures with a constant chirality where the rotation of the z component of the magnetization is larger than π. TSks have topological charge 1 or 0, if the z component of the magnetization Mz goes through a rotation of nπwhere n is an odd or even integer, respectively. TSks with a rotation of the z component of up to 4πhave been imaged via high spatial resolution element-specific X-ray imaging. The TSks were generated by weakly coupling 30 nm thin Permalloy (Ni80Fe20, PY) disks with a 1 μm diameter to asymmetric (Ir 1 nm/Co …

Reconfigurable Ferromagnetic Liquid Droplets, Xubo Liu, Noah Kent, Alejandro Ceballos, Robert Streubel, Yufeng Jiang, Yu Chai, Paul Y. Kim, Joe Forth, Frances Hellman, Shaowei Shi, Dong Wang, Brett A. Helms, Paul D. Ashby, Peter Fischer, Thomas P. Russell

Robert Streubel Papers

Solid ferromagnetic materials are rigid in shape and cannot be reconfigured. Ferrofluids, although reconfigurable, are paramagnetic at room temperature and lose their magnetization when the applied magnetic field is removed. Here, we show a reversible paramagnetic-to-ferromagnetic transformation of ferrofluid droplets by the jamming of a monolayer of magnetic nanoparticles assembled at the water-oil interface. These ferromagnetic liquid droplets exhibit a finite coercivity and remanent magnetization. They can be easily reconfigured into different shapes while preserving themagnetic properties of solid ferromagnets with classic north-south dipole interactions. Their translational and rotational motions can be actuated remotely and precisely by an external magnetic …

New Heusler Compounds In Ni-Mn-In And Ni-Mn-Sn Alloys, Xingzhong Li, W.-Y. Zhang, Shah R. Valloppilly, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Rapidly quenched ternary Ni-Mn-T (T = In, Sn) alloys exhibit features associated with magnetic skyrmions, so that XRD, TEM, EDS, SAED and HREM investigations were carried out for structural characterization on the two alloy systems. In this paper, we report a new type of Mn-rich Heusler compound with a cubic unit cell, a = 0.9150 nm in Ni-Mn-In and a = 0.9051 nm in Ni-Mn-Sn, which coexist with a Ni-rich full-Heusler compound with defects, a = 0.6094 nm in Ni-Mn-In and a = 0.6034 nm in Ni-Mn-Sn. A further analysis of the experimental results reveals a close structural relationship between …

Origin Of Enhanced Anisotropy In Fept-C Granular Films Revealed By Xmcd, Robert Streubel, Alpha T. N'Diaye, Kumar Srinivasan, Antony Ajan, Peter Fischer

Robert Streubel Papers

We study the effect of carbon segregants on the spin and orbital moments of L10 FePt granular media using x-ray magnetic circular dichroism (XMCD) spectroscopy and report an effective decoupling of the structural film properties from the magnetic parameters of the grains. The carbon concentration reduces the grain size from (200 ± 160) nm2 down to (50 ± 20) nm2 for 40 mol. %C and improves sphericity and the order of grains, while preserving the crystalline order, spin and orbital moments, and perpendicular magnetocrystalline anisotropy. We identify the primary cause of enhanced saturation and coercive fields as the reduced demagnetization …

Magnetization Reversal And Local Switching Fields Of Ferromagnetic Co/Pd Microtubes With Radial Magnetization, Norbert Puwenberg, Christopher F. Reiche, Robert Streubel, Mishal Khan, Dipankar Mukherjee, Ivan V. Soldatov, Michael Melzer, Oliver G. Schmidt, Bernd Büchner, Thomas Mühl

Robert Streubel Papers

Three-dimensional nanomagnetism is a rapidly growing field of research covering both noncollinear spin textures and curved magnetic geometries including microtubular structures. We spatially resolve the field-induced magnetization reversal of free-standing ferromagnetic microtubes utilizing multifrequency magnetic force microscopy (MFM). The microtubes are composed of Co/Pd multilayer films with perpendicular magnetic anisotropy that translates to an anisotropy with radial easy axis upon rolling-up. Simultaneously mapping the topography and the perpendicular magnetostatic force derivative, the relation between surface angle and local magnetization configuration is evaluated for a large number of locations with slopes exceeding 45 degrees. The angle-dependence of the switching field is …

X-Ray Ptychography On Low-Dimensional Hard-Condensed Matter Materials, Xiaowen Shi, Nicolas Burdet, Bo Chen, Gang Xiong, Robert Streubel, Ross Harder, Ian K. Robinson

Robert Streubel Papers

Tailoring structural, chemical, and electronic (dis-)order in heterogeneous media is one of the transformative opportunities to enable new functionalities and sciences in energy and quantum materials. This endeavor requires elemental, chemical, and magnetic sensitivities at the nano/atomic scale in two- and three-dimensional space. Soft X-ray radiation and hard X-ray radiation provided by synchrotron facilities have emerged as standard characterization probes owing to their inherent element-specificity and high intensity. One of the most promising methods in view of sensitivity and spatial resolution is coherent diffraction imaging, namely, X-ray ptychography, which is envisioned to take on the dominance of electron imaging techniques …

Textured Heterogeneity In Square Artificial Spin Ice, J. C.T. Lee, S. K. Mishra, V. S. Bhat, R. Streubel, B. Farmer, X. Shi, L. E. De Long, I. Mcnulty, P. Fischer, S. D. Kevan, S. Roy

Robert Streubel Papers

We report evidence of spontaneous formation of a heterogeneous network of superdomains in two-dimensional square artificial spin ice nanostructures in externally applied magnetic fields. Coherent resonant soft-x-ray scattering from such textures gives rise to unique internal structure in Bragg peaks. The magnetic heterogeneity is locally disordered but has a zigzag texture at longer length scales. Our result suggests that the macroscopic magnetic texture is derived from the microscopic structure of the Dirac strings.

Boundary Conditions And Berry Phase In Magnetic Nanostructures, A. Ullah, B. Balamurugan, W. Zhang, D. J. Sellmyer, R. Skomski

Nebraska Center for Materials and Nanoscience: Faculty Publications

The effect of micromagnetic boundary conditions on the Berry curvature and topological Hall effect in granular nanostructures is investi- gated by model calculations. Both free surfaces and grain boundaries between interacting particles or grains affect the spin structure. The Dzyaloshinskii-Moriya interactions yield corrections to the Erdmann-Weierstrass boundary conditions, but the Berry curvature remains an exclusive functional of the local spin structure, which greatly simplifies the treatment of nanostructures. An explicit example is a model nanostructure with cylindrical symmetry whose spin structure is described by Bessel function and which yields a mean-field-type Hall-effect contribution that can be related to magnetic-force-microscopy images.

Crystal Structure And Dzyaloshinski–Moriya Micromagnetics, Ahsan Ullah, B. Balamurugan, Wuzhang Fang, Shah R. Valloppilly, Xingzhong Li, Rabindra Pahari, Lanping Yue, Andrei Sokolov, David J. Sellmyer, Ralph Skomski

Nebraska Center for Materials and Nanoscience: Faculty Publications

The relationship between atomic-scale and micromagnetic Dzyaloshinski–Moriya (DM) interactions has been investigated. By analyzing the Lifshitz invariants for different point groups, we have found that there is no unique link between the absence of inversion symmetry and DM interactions. The absence of inversion symmetry is a necessary condition for a net DM interaction in crystals, but several noncentrosymmetric point groups have zero DM interactions. In many cases, the key consideration is whether the crystals are polar and/or chiral. For example, MnSi-type spin spirals, which violate helical spin symmetry, are caused by the insertion of chiral atomic-scale building blocks into an …

Medium-Dependent Antibacterial Properties And Bacterial Filtration Ability Of Reduced Graphene Oxide, Alexander Gusev, Olga Zakharova, Dmitry S. Muratov, Nataliia S. Vorobeva, Mamun Sarker, Iaroslav Rybkin, Daniil Bratashov, Evgeny Kolesnikov, Aleš Lapanje, Denis V. Kuznetsov, Alexander Sinitskii

Nebraska Center for Materials and Nanoscience: Faculty Publications

Toxicity of reduced graphene oxide (rGO) has been a topic of multiple studies and was shown to depend on a variety of characteristics of rGO and biological objects of interest. In this paper, we demonstrate that when studying the same dispersions of rGO and fluorescent Escherichia coli (E. coli) bacteria, the outcome of nanotoxicity experiments also depends on the type of culture medium. We show that rGO inhibits the growth of bacteria in a nutrition medium but shows little effect on the behavior of E. coli in a physiological saline solution. The observed effects of rGO on E. …

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 Fe_3+xCo_3−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 …

Nonvolatile Voltage Controlled Molecular Spin State Switching, G. Hao, A. Mosey, X. Jiang, A. J. Yost, K. R. Sapkota, G. T. Wang, X. Zhang, J. Zhang, A. T. N'Diaye, R. Cheng, X. Xu, P. A. Dowben

Xiaoshan Xu Papers

Voltage-controlled room temperature isothermal reversible spin crossover switching of [Fe{H₂B(pz)₂}₂(bipy)] thin films is demonstrated. This isothermal switching is evident in thin film bilayer structures where the molecular spin crossover film is adjacent to a molecular ferroelectric. The adjacent molecular ferroelectric, either polyvinylidene fluoride hexafluoropropylene or croconic acid (C₅H₂O₅), appears to lock the spin crossover [Fe{H₂B(pz)₂}₂(bipy)] molecular complex largely in the low or high spin state depending on the direction of ferroelectric polarization. In both a planar two terminal diode structure and a …

Proximitized Materials, Igor Žutić, Alex Matos-Abiague, Benedikt Scharf, Hanan Dery, Kirill Belashchenko

Kirill Belashchenko Publications

Advances in scaling down heterostructures and having an improved interface quality together with atomically thin two-dimensional materials suggest a novel approach to systematically design materials. A given material can be transformed through proximity effects whereby it acquires properties of its neighbors, for example, becoming superconducting, magnetic, topologically nontrivial, or with an enhanced spin–orbit coupling. Such proximity effects not only complement the conventional methods of designing materials by doping or functionalization but also can overcome their various limitations. In proximitized materials, it is possible to realize properties that are not present in any constituent region of the considered heterostructure. While the …

Coupling Of Light's Orbital Angular Momentum To A Quantum Dot Ensemble, Alaa A. Bahamran

Electronic Theses and Dissertations

We theoretically and experimentally investigate the transfer of orbital angular momentum from light to an ensemble of semiconductor-based nanostructures composed of lead sulfide quantum dots. Using an ensemble of quantum dots offers a higher cross-section and more absorption of twisted light fields compared to experimentally challenging single-nanostructure measurements. However, each quantum dot (except for on-center) sees a displaced light beam parallel to its own axis of symmetry. The transition matrix elements for the light-matter interaction are calculated by expressing the displaced light beam in terms of the appropriate light field centered on the nanoparticles. The resulting transition rate induced by …

Controlling The Magnetocrystalline Anisotropy Of E-Fe2o3, Imran Ahamed, Ralph Skomski, Arti Kashyap

Nebraska Center for Materials and Nanoscience: Faculty Publications

The magnetocrystalline anisotropy of pristine and Co-substituted ε-Fe₂O₃ is investigated by density functional calculations. The epsilon-iron oxide is the only polymorph of Fe₂O₃ magnetoelectric in its antiferromagnetic ground states other crystalline forms being α-Fe₂O₃ (hematite), β-Fe₂O₃, and γ-Fe₂O₃ (maghemite). The magnetizations of the four iron sublattices are antiferromagnetically aligned with slightly different magnetic moments resulting in a ferrimagnetic structure. Compared to the naturally occurring hematite and maghemite, bulk ε-Fe₂O₃ is difficult to prepare, but ε-Fe₂O₃ nanomaterials of different …

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, 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, 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, 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 (T_B) 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 (T_C) of 815 K. This …

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, 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 Pr_2-xNd_xFe₁₇ (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 Pr_1.5Nd_0.5Fe₁₇ and Pr_1.3Nd_0.7Fe₁₇, 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, 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 (x_c ≈ 0.65), a quantum phase …

Electronic And Geometric Structure Of Alnom And Alnom +, Albert R. Armstrong

Theses and Dissertations

Generally, the electronic stability of aluminum clusters is associated with either closed electronic shells of delocalized electrons, or aluminum in the +3 state. To explore alternative routes for electronic stability in aluminum oxide clusters, theoretical methods were used to examine the geometric and electronic structure of Al_nO_m (2≤n≤7; 1≤m≤10) clusters. Two types of electronically stable clusters with large HOMO-LUMO gaps were identified the first being Al_2nO_3m clusters with a +3 oxidation state on the aluminum, and the second being planar clusters such as Al₄O₄, Al₅O₃, Al …

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 …