Condensed Matter Physics Commons^™

Magnetocrystalline Anisotropy Of "-Fe2o3, Imran Ahamed, Rohilt Pathak, Arti Kashyap

Nebraska Center for Materials and Nanoscience: Faculty Publications

The epsilon Fe₂O₃ phase of iron oxide has been studied to understand the spin structure and the magnetocrystalline anisotropy in the bulk and in thin films of "-Fe₂O₃ and Co-doped "-Fe₂O₃. The preferential magnetization direction in the nanoparticles of "-Fe₂O₃ is along the a-axis [M. Gich et al., Chem. Mater. 18, 3889 (2006)]. Compared to the bulk band gap of 1.9 eV, the thin-film band gap is reduced to 1.3 eV in the Co-free films and to 0.7 eV in the film with partial …

Texture Development And Coercivity Enhancement In Cast Alnico 9 Magnets, Wenyong Zhang, Shah Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, Iver Anderson, Matthew Kramer, Wei Tang, Jeff Shield, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

The effect of Y addition and magnetic field on texture and magnetic properties of arc-melted alnico 9 magnets has been investigated. Small additions of Y (1.5 wt.%) develop a (200) texture for the arc-melted alnico 9 magnet. Such a texture is hard to form in cast samples. To achieve this goal, we set up a high-field annealing system with a maximum operation temperature of 1250⁰ C. This system enabled annealing in a field of 45 kOe with subsequent draw annealing for the solutionized buttons; we have been able to substantially increase remanence ratio and coercivity, from 0.70 and 1200 …

Simulation Of Alnico Coercivity, Liqin Ke, Ralph Skomski, Todd D. Hoffman, Lin Zhoue, Wei Tang, Duane D. Johnson, Matthew J. Kramer, Iver E. Anderson, C.Z. Wang

Nebraska Center for Materials and Nanoscience: Faculty Publications

Micromagnetic simulations of alnico show substantial deviations from Stoner-Wohlfarth behavior due to the unique size and spatial distribution of the rod-like Fe-Co phase formed during spinodal decomposition in an external magnetic field. The maximum coercivity is limited by single-rod effects, especially deviations from ellipsoidal shape, and by interactions between the rods. Both the exchange interaction between connected rods and magnetostatic interaction between rods are considered, and the results of our calculations show good agreement with recent experiments. Unlike systems dominated by magnetocrystalline anisotropy, coercivity in alnico is highly dependent on size, shape, and geometric distribution of the Fe-Co phase, all …

Effect Of Disorder On The Resistivity Of Cofecral Films, Y. Jin, R. Skomski, P. Kharel, S.R. Valloppilly, D. J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Structural and electron-transport properties of thin films of the ferrimagnetic Heusler compound CoFeCrAl have been investigated to elucidate structure-property relationships. The alloy is, ideally, a spin-gapless semiconductor, but structural disorder destroys the spin-gapless character and drastically alters the transport behavior. Two types of CoFeCrAl films were grown by magnetron sputtering deposition at 973 K, namely polycrystalline films on Si substrates and epitaxial films on MgO (001) substrates. The resistivity decreases with increasing temperature, with relatively small temperature coefficients of –0.19 cm=K for the polycrystalline films and –0.12 cm=K for the epitaxial films. The residual resistivity of the polycrystalline films deposited …

Half-Metallic Magnetism In Ti3co5-Xfexb2, Rohit Pathak, Imran Ahamed, W. Y. Zhang, Shah Vallopilly, D. J. Sellmyer, Ralph Skomski, Arti Kashyap

Nebraska Center for Materials and Nanoscience: Faculty Publications

Bulk alloys and thin films of Fe-substituted Ti₃Co₅B₂ have been investigated by first-principle density-functional calculations. The series, which is of interest in the context of alnico magnetism and spin electronics, has been experimentally realized in nanostructures but not in the bulk. Our bulk calculations predict paramagnetism for Ti₃Co₅B₂, Ti₃Co₄FeB₂ and Ti₃CoFe₄B₂, whereas Ti₃Fe₅B₂ is predicted to be ferromagnetic. The thin films are all ferromagnetic, indicating that moment formation may be facilitated at nanostructural …

Cooperative And Noncooperative Magnetization Reversal In Alnicos, Raplh Skomski, Liqin Ke, Matthew J. Kramer, Iver E. Anderson, C.Z. Wang, W.Y. Zhang, Jeff E. Shield, D. J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

It is investigated how magnetostatic interactions affect the coercivity of alnicotype magnets. Starting from exact micromagnetic relations, we analyze two limits, namely cooperative reversal processes operative on short lengths scales and noncooperative reversal processes on long length scales. In alnicos, intrawire interactions are predominantly cooperative, whereas interwire effects are typically noncooperative. However, the transition between the regimes depends on feature size and hysteresis-loop shape, and interwire cooperative effects are largest for nearly rectangular loops. Our analysis revises the common shape-anisotropy interpretation of alnicos.

Epitaxial Strain Controlled Magnetocrystalline Anisotropy In Ultrathin Ferh/Mgo Bilayers, Guohul Zheng, San-Huang Ke, Maosheng Miao, Jinwoong Kim, R, Ramesh, Nicholas Kioussis

Nebraska Center for Materials and Nanoscience: Faculty Publications

Using ab initio electronic structure calculations we have investigated the effect of epitazial strain on the magnetocrystalline anisotropy (MCA) of ultrathin FeRh/MgO heterostructures. Analysis of the energy- and k-resolved distribution of the orbital character of the band structure reveals that MCA largely arises from the spin-orbit coupling (SOC) between d_x2-y2 and d_xz/d_yz orbitlas of Fe atoms at the FeRh/MhO interface. We demonstrate that the strain has significant effects on the MCA: It not only affects the value of the MCA but also induces a switching of the magnetic easy axis from perpendicular on in-plane direction. The …

First-Principle Investigation Of Structural, Electronic And Magnetic Properties Of Co2vin And Covin Heusler Compounds, Zipporah Muthui, Rohit Pathak, Robinson Musembi, Julius Mwabora, Ralph Skomski, Arti Kashyap

Nebraska Center for Materials and Nanoscience: Faculty Publications

Investigation of the structural, electronic and magnetic properties of full-Heusler Co₂VIn as well as half-Heusler CoVIn Cobalt based Heusler compounds using density functional theory (DFT) leads to the general conclusion that Co₂VIn and CoVIn are half-metallic materials with a gap at the Fermi level in the minority states and majority states respectively. A Hubbard-like Coulomb correlation term U has been included in the DFT (DFT+U) for the computation of the electronic and magnetic properties of the compounds. The structural properties have been calculated for the paramagnetic and ferromagnetic phases, and both Co₂VIn …

Effect Of Disorder On The Magnetic And Electronic Structure Of A Prospective Spin-Gapless Semiconductor Mncrval, P. Kharel, J. Herran, P. Lukashev, Y. Jin, J. Waybright, S. Gilbert, B. Staten, P. Gray, S. Valloppilly, Y. Huh, D. J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Recent discovery of a new class of materials, spin-gapless semiconductors (SGS), has attracted considerable attention in the last few years, primarily due to potential applications in the emerging field of spin-based electronics (spintronics). Here, we investigate structural, electronic, and magnetic properties of one potential SGS compound, MnCr-VAl, using various experimental and theoretical techniques. Our calculations show that this material exhibits ≈ 0.5 eV band gap for the majority-spin states, while for the minority-spin it is nearly gapless. The calculated magnetic moment for the com- pletely ordered structure is 2.9 μ_B/f.u., which is different from our experimentally measured value …

Controlling The Microstructure And Associated Magnetic Properties Of Ni0.2mn3.2ga0.6 Melt-Spun Ribbons By Annealing, Mahmud Khan, Ohud Alshammari, Balamurugan Balamurugan, Bhaskar Das, David J. Sellmyer, Ahmad Us Saleheen, Shane Stadler

Nebraska Center for Materials and Nanoscience: Faculty Publications

Here we report on the structural and magnetic properties of Ni_0.2Mn_3.2Ga_0.6 melt- spun ribbons. The as-spun ribbons were found to exhibit mixed cubic phases that transform to non-cubic structure upon annealing. Additionally, an amorphous phase was found to co-exist in all ribbons. The SEM images show that minor grain forma- tion occurs on the as-spun ribbons. However, the formation of extensive nano-grains was observed on the surfaces of the annealed ribbons. While the as-spun ribbons exhibit predominantly paramagnetic behavior, the ribbons annealed under various thermal conditions were found to be ferromagnetic with a Curie temperature …

Effect Of Fe Substitution On The Structural, Magnetic And Electron-Transport Properties Of Half-Metallic Co2tisi, Y. Jin, J. Waybright, P. Kharel, I. Tutic, J. Herran, P. Lukashev, S. Valloppilly, D. J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

The structural, magnetic and electron-transport properties of Co₂Ti_1-xFe_xSi (x = 0, 0.25, 0.5) ribbons prepared by arc-melting and melt-spinning were investi- gated. The rapidly quenched Co₂Ti_0.5Fe_0.5Si crystallized in the cubic L2₁ structure whereas Co₂Ti_0.75Fe_0.25Si and Co₂TiFe₀Si showed various degrees of B2-type disorder. At room temperature, all the samples are ferromagnetic, and the Curie tem- perature increased from 360 K for Co₂TiSi to about 800 K for Co₂Ti_0.5Fe_0.5Si. The measured …

Tunneling Magnetoresistance Sensors With Different Coupled Free Layers, Yen-Fu Liu, Xiaolu Yin, Yi Yang, Dan Ewing, Paul J. De Rego, Sy-Hwang Liou

Nebraska Center for Materials and Nanoscience: Faculty Publications

Large differences of magnetic coercivity (HC), exchange coupling field (HE), and tun- neling magnetoresistance ratio (TMR) in magnetic tunnel junctions with different coupled free layers are discussed. We demonstrate that the magnetization behavior of the free layer is not only dominated by the interfacial barrier layer but also affected largely by the magnetic or non-magnetic coupled free layers. All these parameters are sensitively controlled by the magnetic nanostructure, which can be tuned also by the magnetic annealing process. The optimized sensors exhibit a large field sensitivity of up to 261%/mT in the region of the reversal synthetic ferri- magnet at …

Spica: Stereographic Projection For Interactive Crystallographic Analysis, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

In numerous research fields, especially the applications of electron and X-ray diffraction, stereographic projection represents a powerful tool for researchers. SPICA is a new computer program for stereographic projection in interactive crystallographic analysis, which inherits features from the previous JECP/SP and includes more functions for extensive crystallographic analysis. SPICA provides fully interactive options for users to plot stereograms of crystal directions and crystal planes, traces, and Kikuchi maps for an arbitrary crystal structure; it can be used to explore the orientation relationships between two crystalline phases with a composite stereogram; it is also used to predict the tilt angles of …

New Type Of Al-Based Decagonal Quasicrystal In Al60Cr20Fe10Si10 Alloy, Zhanbing He, Haikun Ma, Hua Li, Xingzhong Li, Xiuliang Ma

Nebraska Center for Materials and Nanoscience: Faculty Publications

A new kind of decagonal quasicrystal (DQC) with a periodicity of 1.23 nm was observed in the as-cast quaternary Al₆₀Cr₂₀Fe₁₀Si₁₀ alloy. The intensity distribution of some spots in the selected-area electron diffraction pattern along the tenfold zone axis was found to be different from other Al-based DQCs. High-angle annular dark-field scanning transmission electron microscopy was adopted to reveal the structural features at an atomic level. Both the tenfold symmetry and symmetry-broken decagonal (D) clusters of 1.91 nm in diameter were found, but with structural characteristics different from the corresponding D clusters in the …

Structure And Magnetism Of New Rare- Earth-Free Intermetallic Compounds: Fe3+Xco3−Xti2 (0 ≤ X ≤ 3), Balamurugan Balamurugan, Bhaskar Das, Manh Cuong Ngyuen, Xiaoshan Xu, Jie Zhang, Xiaozhe Zhang, Yaohua Liu, Ashfia Huq, Shah R. Valloppilly, Yunlong Jin, Cai-Zhuang Wang, Kai-Ming Ho, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

We report the fabrication of a set of new rare-earth-free magnetic compounds, which form the Fe₃Co₃Ti₂-type hexagonal structure with P-6m2 symmetry. Neutron powder diffraction shows a significant Fe/Co anti-site mixing in the Fe₃Co₃Ti₂ structure, which has a strong effect on the magnetocrystalline anisotropy as revealed by first-principle calculations. Increasing substitution of Fe atoms for Co in the Fe₃Co₃Ti₂ lattice leads to the formation of Fe₄Co₂Ti₂ , Fe₅CoTi, and Fe₆Ti₂ with significantly improved …

Electron Diffraction Study Of Cobalt-Rich Hf-Co, Xingzhong Li, Yunlong Jin, Jeffrey E. Shield, Ralph Skomski, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Intermetallic compounds having compositions from HfCo₄ to HfCo₈ were investigated by transmission electron microscopy, selected-area electron diffraction, and energy-dispersive x-ray spectroscopy. A major crystalline phase, closely related to the orthorhombic Zr₂Co₁₁ phase in structure, has been observed in the samples with the composition ranges from HfCo₆ to HfCo₈. The phase, referred to as either Hf₂Co₁₁ or HfCo₇ phase in the literature, is actually one common phase, having a broad composition range and referred to as μ-phase in the present paper. In addition to the μ-phase, we …

Low-Temperature Fcc To L10 Phase Transformation In Copt(Bi) Nanoparticles, Frank M. Abel, Vasilis Tzitzios, David J. Sellmeyer, George C. Hadjipanayis

Nebraska Center for Materials and Nanoscience: Faculty Publications

This work is focused on the effects of Bi substitution on the synthesis of CoPt nanoparticles with the L1₀ structure using a modified organometallic approach. The structural and magnetic properties of the nanoparticles have been studied and compared directly with those of CoPt nanoparticles synthesized by the same tech- nique but in the absence of Bi substitution. The as-synthesized particles at 330 ◦C have an average size of 11.7 nm and a partially ordered L10 phase with a coercivity of 1 kOe. The coercivity is increased to 9.3 kOe and 12.4 kOe after annealing for 1 hour at 600 …

Modification Of The G-Phonon Mode Of Graphene By Nitrogen Doping, Pavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, Noah Hurley, Evgeny Y. Tsymbal, Aron Pinczuk, Abhay Pasupathy, Rui He

Nebraska Center for Materials and Nanoscience: Faculty Publications

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We …

Magnetic Force Microscopy Study Of Zr2co11-Based Nanocrystalline Materials: Effect Of Mo Addition, Lanping Yue, Yunlong Jin, Wenyong Zhang, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

The addition of Molybdenum was used to modify the nanostructure and enhance coercivity of rare-earth-free Zr₂Co₁₁-based nanocrystalline permanent magnets. The effect of Mo addition on magnetic domain structures of melt spun nanocrystalline Zr₁₆Co_84−xMo_x (𝑥 = 0, 0.5, 1, 1.5, and 2.0) ribbons has been investigated. It was found that magnetic properties and local domain structures are strongly influenced by Mo doping. The coercivity of the samples increases with the increase in Mo content (𝑥 ≤ 1.5). The maximum energy product (𝐵𝐻)_max increases with increasing 𝑥 from 0.5 MGOe for 𝑥 …

Spin Density Waves In Periodically Strained Graphene Nanoribbons, Nabil M. Al-Aqtash, Renat F. Sabirianov

Nebraska Center for Materials and Nanoscience: Faculty Publications

Zigzag graphene nanoribbons (ZGNRs) are antiferromagnetic in the ground state with zero net magnetization due to the compensation of contributions from opposite edges. Uniform deformations (both shear and axial) do not produce magnetization due to symmetry restrictions. However, we report the results of first-principles calculations that predict the induction of spin density waves (SDWs) in ZGNRs under non-uniform periodic strain. Using the density functional theory (DFT) method, we show that a sinusoidal magnetization variation along the axis of the ribbon occurs under a sinusoidal transversal shear strain. SDWs appear due to the presence of a strain gradient that induced asymmetry …

Qpced2.0: A Computer Program For The Processing And Quantification Of Polycrystalline Electron Diffraction Patterns, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

The processing and quantification of electron diffraction patterns have become vital in advanced electron crystallographic analysis work. A computer program, QPCED2.0, has been developed for the handling of selected-area electron diffraction patterns for polycrystalline materials. QPCED2.0 can be used to enhance the visibility of electron diffraction patterns, to convert electron diffraction patterns into intensity profiles, and to retrieve precisely the lattice d spacings and the integral intensities of the diffraction rings. The design and implementation of QPCED2.0 are elucidated and application examples are given.

Magnetism Of Cluster-Deposited Y–Co Nanoparticles, Balamuruga Balamurugan, Ralph Skomski, Xingzhong Li, V. R. Shah, George C. Hadjipanayis, Jeffrey E. Shield, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Nanoparticles of YCo₂, YCo_3, and YCo₅ are produced by cluster-deposition and investigated both structurally and magnetically. The nanoparticles have sizes of less than 10 nm and are superparamagnetic at 300 K, irrespective of stoichiometry. As-produced nanoparticles exhibit disordered structures with magnetic properties differing from those of the bulk particles. The temperature-dependent magnetization curves of the nanoparticles reveal blocking temperatures from 110 to 250 K, depending on stoichiometry. The magnetic anisotropy constant K₁ of disordered YCo₅ nanoparticles of 7.8 nm in size is 3.5×10⁶ergs/cm³, higher than those of the disordered YCo …

Structure And Magnetism Of Mnau Nanoclusters, X. Wei, Damien Le Roy, Ralph Skomski, Xingzhong Li, Zhiguang Sun, Jeffrey E. Shield, M. J. Kramer, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Equiatomic MnAu clusters with average sizes of 4 and 10 nm are produced by inert-gas condensation. As-produced clusters are used to form both dense cluster films and films with clusters embedded in a W matrix with a cluster volume fraction of 25%. Both structure and magnetism are size-dependent. Structural analysis of the 10 nm clusters indicate a distorted tetragonal body-centered cubic structure with lattice parameters a=0.315 and c=0.329 nm. The 4 nm clusters have a partially ordered tetragonal L10 structure with lattice parameters a=0.410 nm and c=0.395 nm. Magnetic properties of the clusters show evidence at …

Dynamical Theory Calculations Of Spin-Echo Resolved Grazing-Incidence Scattering From A Diffraction Grating, Rana Ashkar, P. Stonaha, A. L. Washington, V. R. Shah, M. R. Fitzsimmons, B. Maranville, C. F. Majkrzak, W. T. Lee, W. L. Schaich, Roger Pynn

Nebraska Center for Materials and Nanoscience: Faculty Publications

Neutrons scattered or reflected from a diffraction grating are subject to a periodic potential analogous to the potential experienced by electrons within a crystal. Hence, the wavefunction of the neutrons can be expanded in terms of Bloch waves and a dynamical theory can be applied to interpret the scattering phenomenon. In this paper, a dynamical theory is used to calculate the results of neutron spin-echo resolved grazing-incidence scattering (SERGIS) from a silicon diffraction grating with a rectangular profile. The calculations are compared with SERGIS measurements made on the same grating at two neutron sources: a pulsed source and a continuous …

Specification Of Jecp/Holz, An Interactive Computer Program For Simulation Of Holz Pattern, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

1. Purpose of the program 2. Graphic user interface and program design 3. Formulas for calculating the positions of the HOLZ lines 4. System requirement 5. Installation and user instruction 6. How to contact the author 7. References

1. Purpose of the program JECP/HOLZ (Li, 2005a) is one computer program in the Java Electron Crystallography Package (JECP), which is designed and written by Dr. XingZhong Li. The package is developed for quantitative electron diffraction and image processing purpose, JECP/HOLZ is an interactive program for simulation of the higher-order Laue zone (HOLZ) lines using kinematical approximation and a first-order dynamic correction. …

Tem Study Of Crystalline Structures Of Cr–N Thin Films, Xingzhong Li, J. Zhang, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cr–N films were grown on Si (001) substrates by reactive magnetron sputtering under an N2/Ar atmosphere at room temperature. The composition of the films, expressed as Cr_1–xN_x, can be varied by changing the N₂/Ar pressure ratio during the synthesis process. Crystalline states of Cr–N films have been studied using electron diffraction. It is well known that two intermediate phases, Cr₂N (hexagonal) and CrN (cubic), exist in the Cr–N system, and small variations around the ideal stoichiometry are tolerated. The present study shows that cubic CrN with vacancies rather than hexagonal Cr_{2 …}

Specification Of Jecp/Sp: Stereographic Projection With An Application For Specimen Orientation Adjustment Using Tem Holders, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

1. Purpose of the program 2. Graphic user interface and program design 3. Crystallographic principle and implementation 4. System requirement 5. Installation and user instruction 6. How to contact the author 7. References

1. Purpose of the program JECP/SP is a computer program in Java Electron Crystallography Package. JECP is developed for quantitative electron diffraction and image processing, the package is designed and written by Dr. XingZhong Li. JECP/SP provides the all necessary functions of stereographic projection for regular application and furthermore it can be used to minimized the difficulties encountered when tilting highly beam-sensitive, or small-grain-size specimens with known …

Jecp/Ed Manual, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

JECP/ED is a Java program with graphic interface for simulating electron diffraction pattern. It is designed and written by Dr. Xingzhong in University of Nebraska- Lincoln. This is verision 12-2002. It can be used for simulating electron diffraction zone pattern(ZOLZ with/without FOLZ), it allows to select zone axis, high voltage, sample thickness in the simulation, optional to show index, intensity and Laue center, featureed with manuniplating the pattern with slightly tilting, 360 degree rotation, zoom. The diffraction intensity is calculated on the basis of the kinematical theory. The program is extended to simulate electron diffraction with a precession of incident …