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Condensed Matter Physics

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Articles 61 - 90 of 305

Full-Text Articles in Atomic, Molecular and Optical Physics

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss Jan 2021

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …


Transmission Zeros With Topological Symmetry In Complex Systems, Yuhao Kang, Azriel Genack Jan 2021

Transmission Zeros With Topological Symmetry In Complex Systems, Yuhao Kang, Azriel Genack

Publications and Research

Understanding vanishing transmission in Fano resonances in quantum systems and metamaterials and perfect and ultralow transmission in disordered media, has advanced the understanding and applications of wave interactions. Here we use analytic theory and numerical simulations to understand and control the transmission and transmission time in complex systems by deforming a medium and by adjusting the level of gain or loss. Unlike the zeros of the scattering matrix, the position and motion of the zeros of the determinant of the transmission matrix in the complex plane of frequency and field decay rate have robust topological properties. In systems without loss …


Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar Dec 2020

Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar

Makara Journal of Science

Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}benzene (1) and its fluoro-, chloro-, and cyano- derivatives, namely, 1-fluoro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (2), 1-chloro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (3), and 4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzonitrile (4). These molecules belong to the family of nematic liquid crystals with three rings: two benzene and one cyclohexane. Furthermore, two DFT approaches, namely, B3LYP and M062X, have been used to examine the results obtained. This study reveals a remarkable feature: the polarizability of these molecules follows nearly a step function …


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 …


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 …


Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu Nov 2020

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging 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 …


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, …


Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni Oct 2020

Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni

Publications and Research

The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for the electron spin moment. The many-electron theory is complemented via a new descriptive perspective viz. that of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. The law is in terms of ‘classical’ fields whose sources are quantum mechanical expectation values of Hermitian operators taken with respect to the system wave function. The law states that each electron experiences an external and an internal field, the sum of which vanish. The external field is the sum of the binding electrostatic and a Lorentz …


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.


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 …


Growth Of Semi-Polar (11-22) Gan Epitaxial Layer On M-Plane Sapphire Via Mocvd, Anuar Mohd Afiq Jul 2020

Growth Of Semi-Polar (11-22) Gan Epitaxial Layer On M-Plane Sapphire Via Mocvd, Anuar Mohd Afiq

Student Works (2020-2029)

In the past few years, semi-polar (11-22) GaN has attracted much intention in the field of optoelectronics including light-emitting diodes (LEDs), laser diodes (LDs) and photodetectors. Commercially, GaN-based optoelectronic devices are grown along c-plane direction. However, c-oriented GaN-based optoelectronics suffer from piezoelectric polarization, which hinders the device performances. Conversely, semi-polar (11-22) GaN exhibits almost zero piezoelectric polarization effect. Furthermore, as the GaN wurtzite lattice is inclined approximately 58° respective to c-plane, it provides more sites for doping incorporation such as indium, silicon, aluminium, etc. Therefore, the semi-polar (11-22) GaN is presumed to be one of a promising candidate for efficient …


Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil Jun 2020

Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil

Karbala International Journal of Modern Science

We have proposed by far the simplest model, so-called phase wave model (PWM), to predict quantum interference states in monocyclic molecules. Meanwhile, transmission coefficient calculations were also performed using Green’s function method incorporated with Hückel (Tight Binding) approximation. An impressive agreement has been obtained between the results of the phase wave model and the ones from transmission coefficient calculations for the chosen model systems, namely benzene, cycloheptatriene, cyclooctatetraene, and [10]annulene. PWM represents the phase of wave functions of the incoming electrons by a wave and associates a single wavelength of the phase with five atoms/sites. Hence, the electrical conductance would …


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 …


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 …


Density Functional Theory Calculations Of Al Doped Hafnia For Different Crystal Symmetry Configurations, Joshua Steier May 2020

Density Functional Theory Calculations Of Al Doped Hafnia For Different Crystal Symmetry Configurations, Joshua Steier

Seton Hall University Dissertations and Theses (ETDs)

Dogan et al.[1], investigated the causes of ferroelectricity in doped hafnia using ab initio methods. Similarly, we investigated the stability of Al doped hafnia using quantum mechanical methods.

There are many different phases of Hafnia: monoclinic, tetragonal, cubic and orthorhombic. Starting with the monoclinic phase of Hafnia, Hafnia undergoes phase transitions which result in different space groups. The temperature at which the tetragonal phase is induced is 2000 K and cubic phase is induced at 2900 K[1]. Different dielectric constants vary from phase to phase. The average dielectric constants are highest for the cubic and tetragonal phases. In order to …


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 …


Mid-Ir Optical Refrigeration And Radiation Balanced Lasers, Saeid Rostami Apr 2020

Mid-Ir Optical Refrigeration And Radiation Balanced Lasers, Saeid Rostami

Optical Science and Engineering ETDs

This dissertation reports recent advances in mid-infrared (mid-IR) optical refrigeration and Radiation Balanced Lasers (RBLs). The first demonstration of optical refrigeration in Ho:YLF and Tm:YLF crystals as promising mid-IR laser cooling candidates is reported. Room temperature laser cooling efficiency of Tm- and Ho-doped crystals at different excitation polarization is measured and their external quantum efficiency and background absorption are extracted. Complete characterization of laser cooling samples is obtained via performing detailed low-temperature spectroscopic analysis, and their minimum achievable temperature as well as conditions to achieve laser cooling efficiency enhancement in mid-IR are investigated. By developing a Thulium-doped fiber amplifier, seeded …


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 …


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 …


Validation Of Trap Density Theory In Single Layer Organic Light Emitting Diodes With Tris(8 Hydroxyquinolinato)Aluminium As The Emissive Material, Zaini Mohd Suffian Feb 2020

Validation Of Trap Density Theory In Single Layer Organic Light Emitting Diodes With Tris(8 Hydroxyquinolinato)Aluminium As The Emissive Material, Zaini Mohd Suffian

Student Works (2020-2029)

Organic light-emitting diodes (OLEDs) rapidly evolving as the future of solid-state lighting and display application due to its numerous advantages and features. However, the efficiency, lifetime, and fabrication method still need to be improved. Even in solving efficiency issues in the device, there are many challenges to be addressed and overcome. In theory, charge transport phenomena contribute greatly towards increasing or improving the device efficiency. The magnitude of carrier mobility determines the performance of the device, as it influenced device efficiency. For organic semiconductor such as OLED, space-charge limited current (SCLC) theory was used to determine the mobility of the …


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 …


Diffusion Doping Of Cobalt In Rod-Shape Anatase Tio2 Nanocrystals Leads To Antiferromagnetism†, Shahzahan Mia, Shelton J.P. Varapragasam, Aravind Baride, Choumini Balasanthiran, Balamurugan Balasubramanian, Robert M. Rioux, James D. Hoefelmeyer Jan 2020

Diffusion Doping Of Cobalt In Rod-Shape Anatase Tio2 Nanocrystals Leads To Antiferromagnetism†, Shahzahan Mia, Shelton J.P. Varapragasam, Aravind Baride, Choumini Balasanthiran, Balamurugan Balasubramanian, Robert M. Rioux, James D. Hoefelmeyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cobalt(II) ions were adsorbed to the surface of rod-shape anatase TiO2 nanocrystals and subsequently heated to promote ion diffusion into the nanocrystal. After removal of any remaining surface bound cobalt, a sample consisting of strictly cobalt-doped TiO2 was obtained and characterized with powder Xray diffraction, transmission electron microscopy, UV-visible spectroscopy, fluorescence spectroscopy, X-ray photoelectron spectroscopy, SQUID magnetometry, and inductively-coupled plasma atomic emission spectroscopy. The nanocrystal morphology was unchanged in the process and no new crystal phases were detected. The concentration of cobalt in the doped samples linearly correlates with the initial loading of cobalt(II) ions on the nanocrystal surface. Thin …


Detection Of Decoupled Surface And Bulk States In Epitaxial Orthorhombic Sriro3 Thin Films, Prescott E. Evans, Takashi Komesu, Le Zhang, Ding-Fu Shao, Andrew J. Yost, Shiv Kumar, Eike F. Schwier, Kenya Shimada, Evgeny Y. Tsymbal, Xia Hong, P. A. Dowben Jan 2020

Detection Of Decoupled Surface And Bulk States In Epitaxial Orthorhombic Sriro3 Thin Films, Prescott E. Evans, Takashi Komesu, Le Zhang, Ding-Fu Shao, Andrew J. Yost, Shiv Kumar, Eike F. Schwier, Kenya Shimada, Evgeny Y. Tsymbal, Xia Hong, P. A. Dowben

Peter Dowben Publications

We report the experimental evidence of evolving lattice distortion in high quality epitaxial orthorhombic SrIrO3(001) thin films fully strained on (001) SrTiO3 substrates. Angle-resolved X-ray photoemission spectroscopy studies show that the surface layer of 5 nm SrIrO3 films is Sr–O terminated, and subsequent layers recover the semimetallic state, with the band structure consistent with an orthorhombic SrIrO3(001) having the lattice constant of the substrate. While there is no band folding in the experimental band structure, additional super-periodicity is evident in low energy electron diffraction measurements, suggesting the emergence of a transition layer with crystal symmetry evolving from the SrTiO3 substrate …


Manipulation Of The Molecular Spin Crossover Transition Of Fe(H2b(Pz)2)2(Bipy) By Addition Of Polar Molecules, Paulo S. Costa, Guanhua Hao, Alpha T. N'Diaye, Lucie Routaboul, Pierre Braunstein, Xin Zhang, Jian Zhang, Thilini K. Ekanayaka, Qin Yin Shi, V. L. Schlegel, Bernard Doudin, Axel Enders, Peter Dowben Jan 2020

Manipulation Of The Molecular Spin Crossover Transition Of Fe(H2b(Pz)2)2(Bipy) By Addition Of Polar Molecules, Paulo S. Costa, Guanhua Hao, Alpha T. N'Diaye, Lucie Routaboul, Pierre Braunstein, Xin Zhang, Jian Zhang, Thilini K. Ekanayaka, Qin Yin Shi, V. L. Schlegel, Bernard Doudin, Axel Enders, Peter Dowben

Peter Dowben Publications

The addition of various dipolar molecules is shown to affect the temperature dependence of the spin state occupancy of the much studied spin crossover Fe(II) complex, [Fe{H2B(pz)2}2(bipy)] (pz = pyrazol-1-yl, bipy = 2,2′-bipyridine). Specifically, the addition of benzimidazole results in a re-entrant spin crossover transition, i.e. the spin state starts in the mostly low spin state, then high spin state occupancy increases, and finally the high spin state occupancy decreases with increasing temperature. This behavior contrasts with that observed when the highly polar p -benzoquinonemonoimine zwitterion C6H2(..NH2)2(..O)2 was mixed with [Fe{H2B(pz)2}2(bipy)], which resulted in locking [Fe{H2B(pz)2}2(bipy)] largely into a low …


Quantitative Study Of The Energy Changes In Voltage-Controlled Spin Crossover Molecular Thin Films, Aaron Mosey, Ashley S. Dale, Guanhua Hao, Alpha T. N’Diaye, Peter Dowben, Ruihua Cheng Jan 2020

Quantitative Study Of The Energy Changes In Voltage-Controlled Spin Crossover Molecular Thin Films, Aaron Mosey, Ashley S. Dale, Guanhua Hao, Alpha T. N’Diaye, Peter Dowben, Ruihua Cheng

Peter Dowben Publications

Voltage-controlled nonvolatile isothermal spin state switching of a [Fe{H2B(pz)2}2(bipy)] (pz=tris(pyrazol-1-1y)-borohydride, bipy=2,2’-bipyridine) film, more than 40 to 50 molecular layers thick, is possible when it is adsorbed onto a molecular ferroelectric substrate. Accompanying this high spin and low spin state switching, at room temperature, we observe a remarkable change in conductance, thereby allowing not only non-volatile voltage control of the spin state (“write”), but also current sensing of the molecular spin state (“read”). Monte Carlo Ising model simulations of the high spin state occupancy, extracted from x-ray absorption spectroscopy, indicate that the energy difference between the low …


Launching A New Dimension With 3d Magnetic Nanostructures, Peter Fischer, Dédalo Sanz-Hernández, Robert Streubel, Amalio Fernández-Pacheco Jan 2020

Launching A New Dimension With 3d Magnetic Nanostructures, Peter Fischer, Dédalo Sanz-Hernández, Robert Streubel, Amalio Fernández-Pacheco

Robert Streubel Papers

The scientific and technological exploration of three-dimensional magnetic nanostructures is an emerging research field that opens the path to exciting novel physical phenomena, originating from the increased complexity in spin textures, topology, and frustration in three dimensions. One can also anticipate a tremendous potential for novel applications with those systems in a magnetic sensor and information processing technologies in terms of improved energy efficiency, processing speed, functionalities, and miniaturization of future spintronic devices. These three-dimensional structures are distinct from traditional bulk systems as they harness the scientific achievements of nanomagnetism, which aimed at lowering the dimensions down to the atomic …