Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Articles 1 - 30 of 52

Full-Text Articles in Physics

Ultrafast Spin-Currents And Charge Conversion At 3d-5d Interfaces Probed By Time-Domain Terahertz Spectroscopy, T. H. Dang, J. Hawecker, E. Rongione, G. Baez Flores, D. Q. To, J. C. Rojas-Sanchez, H. Nong, J. Mangeney, J. Tignon, F. Godel, S. Collin, P. Seneor, M. Bibes, A. Fert, M. Anane, J. M. George, L. Vila, M. Cosset-Cheneau, D. Dolfi, R. Lebrun, P. Bortolotti, Kirill Belashchenko, S. Dhillon, H. Jaffrès Dec 2020

Ultrafast Spin-Currents And Charge Conversion At 3d-5d Interfaces Probed By Time-Domain Terahertz Spectroscopy, T. H. Dang, J. Hawecker, E. Rongione, G. Baez Flores, D. Q. To, J. C. Rojas-Sanchez, H. Nong, J. Mangeney, J. Tignon, F. Godel, S. Collin, P. Seneor, M. Bibes, A. Fert, M. Anane, J. M. George, L. Vila, M. Cosset-Cheneau, D. Dolfi, R. Lebrun, P. Bortolotti, Kirill Belashchenko, S. Dhillon, H. Jaffrès

Kirill Belashchenko Publications

Spintronic structures are extensively investigated for their spin-orbit torque properties, required for magnetic commutation functionalities. Current progress in these materials is dependent on the interface engineering for the optimization of spin transmission. Here, we advance the analysis of ultrafast spin-charge conversion phenomena at ferromagnetic-Transition metal interfaces due to their inverse spin-Hall effect properties. In particular, the intrinsic inverse spin-Hall effect of Pt-based systems and extrinsic inverse spin-Hall effect of Au:W and Au:Ta in NiFe/Au:(W,Ta) bilayers are investigated. The spin-charge conversion is probed by complementary techniques-ultrafast THz time-domain spectroscopy in the dynamic regime for THz pulse emission and ferromagnetic resonance spin-pumping …


The Importance Of Frontier Orbital Symmetry In The Adsorption Of Diiodobenzene On Mos2(0001), Prescott E. Evans, Zahra Hooshmand, Talat S. Rahman, Peter Dowben Dec 2020

The Importance Of Frontier Orbital Symmetry In The Adsorption Of Diiodobenzene On Mos2(0001), Prescott E. Evans, Zahra Hooshmand, Talat S. Rahman, Peter Dowben

Peter Dowben Publications

Evidence of a role of frontier orbital symmetry, in the adsorption process of diiodobenzene on MoS2(0001), appears in the huge differences in the rate of adsorption between 1,3-diiodobenzene, 1,2-diiodobenzene and 1,4-diiodobenzene isomers on MoS2. Experiments indicate that the rate of adsorption of 1,3-diiodobenzene on MoS2(0001) is much greater than that of the 1,2-diodobenzene and 1,4-diiodbenzene isomers. As the differences in calculated diiodobenzene isomer-MoS2 system adsorption energies and electron affinities are negligible, frontier orbital symmetry appears to play a significant role in diiodobenzene adsorption on MoS2(0001). The experimental and theory results, in combination, suggest …


Band Structure Topology And Spin Transport In Magnon Systems, Bo Li Nov 2020

Band Structure Topology And Spin Transport In Magnon Systems, Bo Li

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

As the spin excitation quanta in magnetic materials, the magnon is at the heart of the spintronics research because it plays a key role in magnetic dynamics, energy and spin transport, and even determining the ground state of magnetic systems. In this thesis, we will study the band-structure topology and transport properties of magnons in both collinear and noncollinear magnets. Inspired by the great success of topological insulators, exploring magnon topology can unveil the topological nature of bosonic particles and widen the zoo of topological materials. We propose a three-dimensional magnon topological insulator model protected by sublattice chiral symmetries, which …


Proximity-Induced Magnetization In Graphene: Towards Efficient Spin Gating, Mihovil Bosnar, Ivor Lončarić, P. Lazić, Kirill Belashchenko, Igor Žutić Nov 2020

Proximity-Induced Magnetization In Graphene: Towards Efficient Spin Gating, Mihovil Bosnar, Ivor Lončarić, P. Lazić, Kirill Belashchenko, Igor Žutić

Kirill Belashchenko Publications

Gate-tunable spin-dependent properties could be induced in graphene at room temperature through the magnetic proximity effect by placing it in contact with a metallic ferromagnet. Because strong chemical bonding with the metallic substrate makes gating ineffective, an intervening passivation layer is needed. Previously considered passivation layers result in a large shift of the Dirac point away from the Fermi level, so that unrealistically large gate fields are required to tune the spin polarization in graphene (Gr). We show that a monolayer of Au or Pt used as the passivation layer between Co and graphene brings the Dirac point closer to …


Detection Of Uncompensated Magnetization At The Interface Of An Epitaxial Antiferromagnetic Insulator, Pavel N. Lapa, Min Han Lee, Igor V. Roshchin, Kirill Belashchenko, Ivan K. Schuller Nov 2020

Detection Of Uncompensated Magnetization At The Interface Of An Epitaxial Antiferromagnetic Insulator, Pavel N. Lapa, Min Han Lee, Igor V. Roshchin, Kirill Belashchenko, Ivan K. Schuller

Kirill Belashchenko Publications

We have probed directly the temperature and magnetic field dependence of pinned uncompensated magnetization at the interface of antiferromagnetic FeF2 with Cu, using FeF2-Cu-Co spin valves. Electrons polarized by the Co layer are scattered by the pinned uncompensated moments at the FeF2-Cu interface giving rise to giant magnetoresistance. We determined the direction and magnitude of the pinned uncompensated magnetization at different magnetic fields and temperatures using the angular dependencies of resistance. The strong FeF2 anisotropy pins the uncompensated magnetization along the easy axis independent of the cooling field orientation. Most interestingly, magnetic fields as …


Strain And Stress Relationships For Optical Phonon Modes In Monoclinic Crystals With Β-Ga2O3 As An Example, Rafal Korlacki, Megan Stokey, Alyssa Lynn Mock, Sean Knight, Alexis Papamichail, Vanya Darakchieva, Mathias Schubert Nov 2020

Strain And Stress Relationships For Optical Phonon Modes In Monoclinic Crystals With Β-Ga2O3 As An Example, Rafal Korlacki, Megan Stokey, Alyssa Lynn Mock, Sean Knight, Alexis Papamichail, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

Strain-stress relationships for physical properties are of interest for heteroepitaxial material systems, where strain and stress are inherent due to thermal expansion and lattice mismatch. We report linear perturbation theory strain and stress relationships for optical phonon modes in monoclinic crystals for strain and stress situations which maintain the monoclinic symmetry of the crystal. By using symmetry group analysis and phonon frequencies obtained under various deformation scenarios from density-functional perturbation theory calculations on β-Ga2O3, we obtain four strain and four stress potential parameters for each phonon mode. We demonstrate that these parameters are sufficient to …


Reinvestigation Of The Intrinsic Magnetic Properties Of (Fe1-Xcox)2b Alloys And Crystallization Behavior Of Ribbons, Tej Nath Lamichhane, Olena Palasyuk, Vladimir P. Antropov, Ivan A. Zhuravlev, Kirill Belashchenko, Ikenna C. Nlebedim, Kevin W. Dennis, Anton Jesche, Matthew J. Kramer, Sergey L. Bud'ko, R. William Mccallum, Paul C. Canfield, Valentin Taufour Nov 2020

Reinvestigation Of The Intrinsic Magnetic Properties Of (Fe1-Xcox)2b Alloys And Crystallization Behavior Of Ribbons, Tej Nath Lamichhane, Olena Palasyuk, Vladimir P. Antropov, Ivan A. Zhuravlev, Kirill Belashchenko, Ikenna C. Nlebedim, Kevin W. Dennis, Anton Jesche, Matthew J. Kramer, Sergey L. Bud'ko, R. William Mccallum, Paul C. Canfield, Valentin Taufour

Kirill Belashchenko Publications

New determination of the magnetic anisotropy from single crystals of (Fe1-xCox)2B alloys are presented. The anomalous temperature dependence of the anisotropy constant is discussed using the standard Callen-Callen theory, which is shown to be insufficient to explain the experimental results. A more material specific study using first-principles calculations with disordered moments approach gives a much more consistent interpretation of the experimental data. Since the intrinsic properties of the alloys with x=0.3-0.35 are promising for permanent magnets applications, initial investigation of the extrinsic properties are described, in particular the crystallization of melt spun ribbons with Cu, Al, …


Cold Sintering Diisopropylamonium Bromide To Form Organic Ceramic Pellets, Darren Armstrong Oct 2020

Cold Sintering Diisopropylamonium Bromide To Form Organic Ceramic Pellets, Darren Armstrong

Honors Theses

Diisopropylamonium bromide is an organic ferroelectric compound. Standard sample preparation methods either require a powder or a single crystal. Certain measurements cannot be done on powders due to equipment limitations, and single crystals are difficult and time consuming to produce and handle. Cold sintering is a relatively new process that allows the creation of ceramics. The original cold sintering process was adapted to work for diisopropylamonium bromide. This allows the creation of ceramics with a large surface area. These pellets can achieve up to 95% of the theoretical maximum density. While the pellets are currently unsuitable for electric testing at …


Indium Segregation To The Selvedge Of In4Se3 (001), Archit Dhingra, Zoe G. Marzouk, Esha Mishra, Pavlo V. Galiy, Taras M. Nenchuk, Peter Dowben Sep 2020

Indium Segregation To The Selvedge Of In4Se3 (001), Archit Dhingra, Zoe G. Marzouk, Esha Mishra, Pavlo V. Galiy, Taras M. Nenchuk, Peter Dowben

Peter Dowben Publications

Thermal motion of the surface atoms will lead to a decrease in photoemission intensity, while surface segregation may result in an increase of some phostoemission intensities. For In4Se3(001), both effects are seen. The Debye–Waller factor plot, based on the temperature dependent X-ray photoemission spectroscopy (XPS) measurements on In4Se3(001), suggests an upper bound of 203 ± 6 K for the effective Debye temperature, based on the surface component of the In 3d5/2 core-level. Indium is found to segregate to selvedge (subsurface region) of the crystal.


The Electronic Properties Of The Quasi-One-Dimensional Transition Metal Trichalcogenides: Tis3 And Zrs3, Simeon Gilbert Sep 2020

The Electronic Properties Of The Quasi-One-Dimensional Transition Metal Trichalcogenides: Tis3 And Zrs3, Simeon Gilbert

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

The transition metal trichalcogenides are a class of materials formed by 1D chains of covalently bound MX3 (M=Ti, Zr, Hf, Ta, Nb; X=S, Se, Te) trigonal prisms which are held together by weak van der Waals forces to form 2D sheets. Because of their superior edge termination, these materials suppress edge scattering effects that plague other two-dimensional materials thus enabling devices scaling to widths below 10 nm. Furthermore, this quasi-one-dimensional structure results in highly anisotropic electronic and optical properties which were examined through angle resolved photoemission spectroscopy and scanning photocurrent microscopy. These measurements show that the hole carrier masses …


Brillouin Zone Center Phonon Modes In Znga2O4, Megan Stokey, Rafal Korlacki, Sean Knight, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Vanya Darakchieva, Mathias Schubert Aug 2020

Brillouin Zone Center Phonon Modes In Znga2O4, Megan Stokey, Rafal Korlacki, Sean Knight, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

Infrared-active lattice mode properties of melt-grown high-quality single bulk crystals of ZnGa2O4 are investigated by combined spectroscopic ellipsometry and density functional theory computation analysis. The normal spinel structure crystals are measured by spectroscopic ellipsometry at room temperature in the range of 100 cm–1–1200 cm–1. The complex-valued dielectric function is determined from a wavenumber-by-wavenumber approach, which is then analyzed by the four-parameter semi-quantum model dielectric function approach augmented by impurity mode contributions. We determine four infrared-active transverse and longitudinal optical mode pairs, five localized impurity mode pairs, and the high frequency dielectric constant. All …


Free Charge Carrier Properties In Two-Dimensional Materials And Monoclinic Oxides Studied By Optical Hall Effect, Sean Knight Aug 2020

Free Charge Carrier Properties In Two-Dimensional Materials And Monoclinic Oxides Studied By Optical Hall Effect, Sean Knight

Department of Electrical and Computer Engineering: Dissertations, Theses, and Student Research

In this dissertation, optical Hall effect (OHE) measurements are used to determine the free charge carrier properties of important two-dimensional materials and monoclinic oxides. Two-dimensional material systems have proven useful in high-frequency electronic devices due to their unique properties, such as high mobility, which arise from their two-dimensional nature. Monoclinic oxides exhibit many desirable characteristics, for example low-crystal symmetry which could lead to anisotropic carrier properties. Here, single-crystal monoclinic gallium oxide, an AlInN/GaN-based high-electron-mobility transistor (HEMT) structure, and epitaxial graphene are studied as examples. To characterize these material systems, the OHE measurement technique is employed. The OHE is a physical …


Site Selective Adsorption Of The Spin Crossover Complex Fe(Phen)2(Ncs)2 On Au(111), Sumit Beniwal, Suchetana Sarkar, Felix Baier, Birgit Weber, Peter Dowben, Axel Enders Jul 2020

Site Selective Adsorption Of The Spin Crossover Complex Fe(Phen)2(Ncs)2 On Au(111), Sumit Beniwal, Suchetana Sarkar, Felix Baier, Birgit Weber, Peter Dowben, Axel Enders

Peter Dowben Publications

The iron(II) spin crossover complex Fe(1,10-phenanthroline)2(NCS)2, dubbed Fe-phen, has been studied with scanning tunneling microscopy, after adsorption on the 'herringbone' reconstructed surface of Au(111) for sub-monolayer coverages. The Fe-phen molecules attach, through their NCS-groups, to the Au atoms of the fcc domains of the reconstructed surface only, thereby lifting the herringbone reconstruction. The molecules stack to form 1D chains, which run along the Au[110] directions. Neighboring Fe-phen molecules are separated by approximately 2.65 nm, corresponding to 9 atomic spacings in this direction. The molecular axis, defined by the two phenanthroline groups, is aligned perpendicular to the …


Generalized Magnetoelectronic Circuit Theory And Spin Relaxation At Interfaces In Magnetic Multilayers, G. G. Baez Flores, Alexey Kovalev, Mark Van Schilfgaarde, K. D. Belashchenko Jun 2020

Generalized Magnetoelectronic Circuit Theory And Spin Relaxation At Interfaces In Magnetic Multilayers, G. G. Baez Flores, Alexey Kovalev, Mark Van Schilfgaarde, K. D. Belashchenko

Department of Physics and Astronomy: Faculty Publications

Spin transport at metallic interfaces is an essential ingredient of various spintronic device concepts, such as giant magnetoresistance, spin-transfer torque, and spin pumping. Spin-orbit coupling plays an important role in many such devices. In particular, spin current is partially absorbed at the interface due to spin-orbit coupling. We develop a general magnetoelectronic circuit theory and generalize the concept of spin-mixing conductance, accounting for various mechanisms responsible for spin-flip scattering. For the special case when exchange interactions dominate, we give a simple expression for the spin-mixing conductance in terms of the contributions responsible for spin relaxation (i.e., spin memory loss), spin …


Surface Termination And Schottky-Barrier Formation Of In4Se3(001), Archit Dhingra, Pavlo V. Galiy, Lu Wang, Nataliia S. Vorobeva, Alexey Lipatov, Angel Torres, Taras M. Nenchuk, Simeon J. Gilbert, Alexander Sinitskii, Andrew J. Yost, Wai-Ning Mei, Keisuke Fukutani, Jia Shiang Chen, Peter Dowben Jun 2020

Surface Termination And Schottky-Barrier Formation Of In4Se3(001), Archit Dhingra, Pavlo V. Galiy, Lu Wang, Nataliia S. Vorobeva, Alexey Lipatov, Angel Torres, Taras M. Nenchuk, Simeon J. Gilbert, Alexander Sinitskii, Andrew J. Yost, Wai-Ning Mei, Keisuke Fukutani, Jia Shiang Chen, Peter Dowben

Peter Dowben Publications

The surface termination of In4Se3(001) and the interface of this layered trichalcogenide, with Au, was examined using x-ray photoemission spectroscopy. Low energy electron diffraction indicates that the surface is highly crystalline, but suggests an absence of C2v mirror plane symmetry. The surface termination of the In4Se3(001 is found, by angle-resolved x-ray photoemission spectroscopy, to be In, which is consistent with the observed Schottky barrier formation found with this n-type semiconductor. Transistor measurements confirm earlier results from photoemission, suggesting that In4Se3(001 is an n-type semiconductor, so that Schottky barrier …


Perspective: Ferromagnetic Liquids, Robert Streubel, Xubo Liu, Xuefei Wu, Thomas P. Russell Jun 2020

Perspective: Ferromagnetic Liquids, Robert Streubel, Xubo Liu, Xuefei Wu, Thomas P. Russell

Robert Streubel Papers

Mechanical jamming of nanoparticles at liquid-liquid interfaces has evolved into a versatile approach to structure liquids with solid-state properties. Ferromagnetic liquids obtain their physical and magnetic properties, including a remanent magnetization that distinguishes them from ferrofluids, from the jamming of magnetic nanoparticles assembled at the interface between two distinct liquids to minimize surface tension. This perspective provides an overview of recent progress and discusses future directions, challenges and potential applications of jamming magnetic nanoparticles with regard to 3D nano-magnetism. We address the formation and characterization of curved magnetic geometries, and spin frustration between dipole-coupled nanostructures, and advance our understanding of …


Skyrmion Fluctuations At A First-Order Phase Transition Boundary, V. Esposito, X. Y. Zheng, M. H. Seaberg, S. A. Montoya, B. Holladay, A. H. Reid, R. Streubel, J. C.T. Lee, L. Shen, J. D. Koralek, G. Coslovich, P. Walter, S. Zohar, V. Thampy, M. F. Lin, P. Hart, K. Nakahara, P. Fischer, W. Colocho, A. Lutman, F. J. Decker, S. K. Sinha, E. E. Fullerton, S. D. Kevan, S. Roy, M. Dunne, J. J. Turner May 2020

Skyrmion Fluctuations At A First-Order Phase Transition Boundary, V. Esposito, X. Y. Zheng, M. H. Seaberg, S. A. Montoya, B. Holladay, A. H. Reid, R. Streubel, J. C.T. Lee, L. Shen, J. D. Koralek, G. Coslovich, P. Walter, S. Zohar, V. Thampy, M. F. Lin, P. Hart, K. Nakahara, P. Fischer, W. Colocho, A. Lutman, F. J. Decker, S. K. Sinha, E. E. Fullerton, S. D. Kevan, S. Roy, M. Dunne, J. J. Turner

Robert Streubel Papers

Magnetic skyrmions are topologically protected spin textures with promising prospects for applications in data storage. They can form a lattice state due to competing magnetic interactions and are commonly found in a small region of the temperature - magnetic field phase diagram. Recent work has demonstrated that these magnetic quasi-particles fluctuate at the μeV energy scale. Here, we use a coherent x-ray correlation method at an x-ray free-electron laser to investigate these fluctuations in a magnetic phase coexistence region near a first-order transition boundary where fluctuations are not expected to play a major role. Surprisingly, we find that the relaxation …


Symmetry And Interface Considerations For Interactions On Mos2, Prescott E. Evans May 2020

Symmetry And Interface Considerations For Interactions On Mos2, Prescott E. Evans

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

The critical role of symmetry, in adsorbate-MoS2 interactions, has been demonstrated through a variety of electronic structure, topology, and catalytic studies of MoS2 and MoS2 composites.A combination of density functional theory and experiment exhibiting diiodobenzene isomer dependent adsorption rates highlight frontier orbital symmetry as key to adsorption on MoS2. It is clear that the geometry and symmetry of MoS2 influences the creation and stability of surface defects, that in turn affect catalytic activity and a myriad of other applications. We have shown that surface reactions such the methanol to methoxy reaction can create defects …


Questaal: A Package Of Electronic Structure Methods Based On The Linear Muffin-Tin Orbital Technique, Dimitar Pashov, Swagata Acharya, Walter R.L. Lambrecht, Jerome Jackson, Kirill Belashchenko, Athanasios Chantis, Francois Jamet, Mark Van Schilfgaarde Apr 2020

Questaal: A Package Of Electronic Structure Methods Based On The Linear Muffin-Tin Orbital Technique, Dimitar Pashov, Swagata Acharya, Walter R.L. Lambrecht, Jerome Jackson, Kirill Belashchenko, Athanasios Chantis, Francois Jamet, Mark Van Schilfgaarde

Kirill Belashchenko Publications

This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin orbital (LMTO) method is revisited in detail and developed further by the introduction of short-ranged tight-binding basis functions for full-potential calculations. The LMTO method is presented in both Green's function and wave function formulations for bulk and layered systems. The suite's full-potential LMTO code uses a sophisticated basis and augmentation method that allows an efficient and precise solution to the band problem at different levels of theory, …


The Emergence Of The Local Moment Molecular Spin Transistor, Guanhua Hao, Ruihua Cheng, Peter Dowben Mar 2020

The Emergence Of The Local Moment Molecular Spin Transistor, Guanhua Hao, Ruihua Cheng, Peter Dowben

Peter Dowben Publications

Local moment molecular systems have now been used as the conduction channel in gated spintronics devices, and some of these three terminal devices might even be considered molecular spin transistors. In these systems, the gate voltage can be used to tune the molecular level alignment, while applied magnetic fields have an influence on the spin state, altering the magnetic properties, and providing insights to the magnetic anisotropy. More recently, the use of molecular spin crossover complexes, as the conduction channel, has led to devices that are both nonvolatile and have functionality at higher temperatures. Indeed, some devices have now been …


Infrared-Active Phonon Modes In Single-Crystal Thorium Dioxide And Uranium Dioxide, Sean Knight, Rafal Korlacki, Christina Dugan, James C. Petrosky, Alyssa Lynn Mock, Peter A. Dowben, J. Matthew Mann, Martin M. Kimani, Mathias Schubert Mar 2020

Infrared-Active Phonon Modes In Single-Crystal Thorium Dioxide And Uranium Dioxide, Sean Knight, Rafal Korlacki, Christina Dugan, James C. Petrosky, Alyssa Lynn Mock, Peter A. Dowben, J. Matthew Mann, Martin M. Kimani, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

The infrared-active phonon modes, in single-crystal samples of thorium dioxide (ThO2) and uranium dioxide (UO2), were investigated using spectroscopic ellipsometry and compared with density functional theory. Both ThO2 and UO2 are found to have one infrared-active phonon mode pair [consisting of one transverse optic (TO) and one associated longitudinal optic (LO) mode], which is responsible for the dominant features in the ellipsometric data. At room temperature, our results for the mode pair’s resonant frequencies and broadening parameters are comparable with previous reflectance spectroscopy characterizations and density functional theory predictions. For ThO2, our …


Probing Ferroelectricity By X-Ray Absorption Spectroscopy In Molecular Crystals, Fujie Tang, Xuanyuan Jiang, Hsin Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N'Diaye, Peter Dowben, Deyu Lu, Xiaoshan Xu, Xifan Wu Mar 2020

Probing Ferroelectricity By X-Ray Absorption Spectroscopy In Molecular Crystals, Fujie Tang, Xuanyuan Jiang, Hsin Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N'Diaye, Peter Dowben, Deyu Lu, Xiaoshan Xu, Xifan Wu

Peter Dowben Publications

We carry out X-ray absorption spectroscopy experiment at the oxygen K edge in croconic acid (C5H2O5) crystal as a prototype of ferroelectric organic molecular solid, whose electric polarization is generated by proton transfer. The experimental spectrum is well reproduced by the electron-hole excitation theory simulations from configuration generated by ab initio molecular dynamics simulation. When inversion symmetry is broken in the ferroelectric state, the hydrogen bonding environment on the two bonded molecules become inequivalent. Such a difference is sensitively probed by the bound excitation in the pre-edge, which is strongly localized on the excited …


Effects Of Intrinsic Defects And Alloying With Fe On The Half-Metallicity Of Co2Mnsi, G. G. Baez Flores, Ivan A. Zhuravlev, Kirill Belashchenko Feb 2020

Effects Of Intrinsic Defects And Alloying With Fe On The Half-Metallicity Of Co2Mnsi, G. G. Baez Flores, Ivan A. Zhuravlev, Kirill Belashchenko

Kirill Belashchenko Publications

The electronic structure and half-metallic gap of Co2MnSi in the presence of crystallographic defects, partial Fe substitution for Mn, and thermal spin fluctuations are studied using the coherent potential approximation and the disordered local moment method. In the presence of 5% Co or Mn vacancies the Fermi level shifts down to the minority-spin valence-band maximum. In contrast to NiMnSb, both types of Mn antisite defects in Co2MnSi are strongly exchange coupled to the host magnetization, and thermal spin fluctuations do not strongly affect the half-metallic gap. Partial substitution of Mn by Fe results in considerable changes in the Bloch spectral …


Itinerant Ferromagnetism And Intrinsic Anomalous Hall Effect In Amorphous Iron-Germanium, D. S. Bouma, Z. Chen, B. Zhang, F. Bruni, M. E. Flatté, A. Ceballos, R. Streubel, L. W. Wang, R. Q. Wu, F. Hellman Jan 2020

Itinerant Ferromagnetism And Intrinsic Anomalous Hall Effect In Amorphous Iron-Germanium, D. S. Bouma, Z. Chen, B. Zhang, F. Bruni, M. E. Flatté, A. Ceballos, R. Streubel, L. W. Wang, R. Q. Wu, F. Hellman

Robert Streubel Papers

The amorphous iron-germanium system (a-FexGe1-x) lacks long-range structural order and hence lacks a meaningful Brillouin zone. The magnetization of a-FexGe1-x is well explained by the Stoner model for Fe concentrations x above the onset of magnetic order around x=0.4, indicating that the local order of the amorphous structure preserves the spin-split density of states of the Fe-3d states sufficiently to polarize the electronic structure despite k being a bad quantum number. Measurements reveal an enhanced anomalous Hall resistivity ρxyAH relative to crystalline FeGe; this ρxyAH is compared to density-functional …


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 Jan 2020

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 Co1+xSi1−x with a maximum Co solubility of x = 0.043. Above a critical …


Svat4: A Computer Program For Visualization And Analysis Of Crystal Structures, Xingzhong Li Jan 2020

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 …


Effects Of Strain And Film Thickness On Rhombohedral Phase Stability Of Hfo2, Y. Zhang, Q. Yang, L. L. Tao, Y. Zhou, E. Y. Tsymbal, And V. Alexandrov Jan 2020

Effects Of Strain And Film Thickness On Rhombohedral Phase Stability Of Hfo2, Y. Zhang, Q. Yang, L. L. Tao, Y. Zhou, E. Y. Tsymbal, And V. Alexandrov

Evgeny Tsymbal Publications

No abstract provided.


Valley-Spin Logic Gates, L. L. Tao, A. Naeemi, And E. Y. Tsymbal Jan 2020

Valley-Spin Logic Gates, L. L. Tao, A. Naeemi, And E. Y. Tsymbal

Evgeny Tsymbal Publications

No abstract provided.


Evaluating Thermoelectric Properties Of Batis3 By Density Functional Theory, T. R. Paudel And E. Y. Tsymbal Jan 2020

Evaluating Thermoelectric Properties Of Batis3 By Density Functional Theory, T. R. Paudel And E. Y. Tsymbal

Evgeny Tsymbal Publications

No abstract provided.


Induced Spin-Textures At 3d Transition Metals/Topological Insulator Interfaces, S. Laref, S. Ghosh, E. Y. Tsymbal, And A. Manchon Jan 2020

Induced Spin-Textures At 3d Transition Metals/Topological Insulator Interfaces, S. Laref, S. Ghosh, E. Y. Tsymbal, And A. Manchon

Evgeny Tsymbal Publications

No abstract provided.