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Full-Text Articles in Physics

Characterization Of Interlayer Laser Shock Peening During Fused Filament Fabrication Of Polylactic Acid (Pla), Fabien Denise Dec 2023

Characterization Of Interlayer Laser Shock Peening During Fused Filament Fabrication Of Polylactic Acid (Pla), Fabien Denise

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

The field of additive manufacturing (AM) has gained a significant amount of popularity due to the increasing need for more sustainable manufacturing techniques and the adaptive development of complex product geometries. The problem is that AM parts routinely exhibit flaws or weaknesses that affect functionality or performance. Over the years, surface treatments have been developed to compensate certain flaws or weaknesses in manufactured products. Combining surface treatments with the modularity of additive manufacturing could lead to more adaptable and creative improvements of product functions in the future. The current work evaluates the feasibility of pursuing a new research axis in …


Hydroxyapatite-Based Coatings On Silicon Wafers And Printed Zirconia, Antoine Chauvin Nov 2023

Hydroxyapatite-Based Coatings On Silicon Wafers And Printed Zirconia, Antoine Chauvin

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Dental surgery needs a naturally attract implant design that can ensure both osseointegration and soft tissue integration. Hydroxyapatite (HAp), the main mineral constituent of dentine and tooth enamel, is commonly used as a coating component, notably for overlaying titanium– or ceramics–based implants. This thesis aims to investigate the behavior of a HAp-based coating, specifically designed to be compatible with a porous substrate. Coating layers are made by sol–gel dip coating by immersion of porous substrates made by additive manufacturing into solutions of HAp, having been mixed with polyethyleneimine (PEI), to improve the adhesion of HAp on the substrate. First, the …


Breakdown Of The Drift-Diffusion Model For Transverse Spin Transport In A Disordered Pt Film, Kirill D. Belashchenko, Giovanni G. Baez Flores, Wuzhang Fang, Alexey Kovalev, Mark Van Schilfgaarde, Paul M. Haney, Mark D. Stiles Oct 2023

Breakdown Of The Drift-Diffusion Model For Transverse Spin Transport In A Disordered Pt Film, Kirill D. Belashchenko, Giovanni G. Baez Flores, Wuzhang Fang, Alexey Kovalev, Mark Van Schilfgaarde, Paul M. Haney, Mark D. Stiles

Department of Physics and Astronomy: Faculty Publications

Spin-accumulation and spin-current profiles are calculated for a disordered Pt film subjected to an in-plane electric current within the nonequilibrium Green's function approach. In the bulklike region of the sample, this approach captures the intrinsic spin Hall effect found in other calculations. Near the surfaces, the results reveal qualitative differences with the results of the widely used spin-diffusion model, even when the boundary conditions are modified to try to account for them. One difference is that the effective spin-diffusion length for transverse spin transport is significantly different from its longitudinal counterpart and is instead similar to the mean-free path. This …


Majorana Bound States In A D-Wave Superconductor Planar Josephson Junction, Hamed Vakili, Moaz Ali, Mohamed Elekhtiar, Alexey Kovalev Oct 2023

Majorana Bound States In A D-Wave Superconductor Planar Josephson Junction, Hamed Vakili, Moaz Ali, Mohamed Elekhtiar, Alexey Kovalev

Department of Physics and Astronomy: Faculty Publications

We study phase-controlled planar Josephson junctions comprising a two-dimensional electron gas with strong spin-orbit coupling and d-wave superconductors, which have an advantage of a high critical temperature. We show that a region between the two superconductors can be tuned into a topological state by the in-plane Zeeman field, and can host Majorana bound states. The phase diagram as a function of the Zeeman field, chemical potential, and the phase difference between superconductors exhibits the appearance of Majorana bound states for a wide range of parameters. We further investigate the behavior of the topological gap and its dependence on the …


Assessment Of Bridge Pier Response To Fire, Vehicle Impact, And Air Blast, Chen Fang, Qusai Alomari, Daniel G. Linzell May 2023

Assessment Of Bridge Pier Response To Fire, Vehicle Impact, And Air Blast, Chen Fang, Qusai Alomari, Daniel G. Linzell

Department of Civil and Environmental Engineering: Dissertations, Theses, and Student Research

Highway bridges exposed to intentional or unintentional fire followed by combined vehicle impact and air blast are at risk of significant damage and, possibly, collapse. Limited studies examining the complex effects of these extreme demands on bridge support elements and parametrizing their response and damage are found in the open literature. Research that is presented is part of an ongoing numerical investigation examining round, multi-column, reinforced concrete (RC), bridge pier behavior subject to multi-hazard scenarios involving fire, vehicle impact, and air blast. Detailed nonlinear finite element analysis models of single columns and multi-column piers supported by a pile foundation system …


Asymmetric Control Of Light At The Nanoscale, Christos Argyropoulos Jul 2022

Asymmetric Control Of Light At The Nanoscale, Christos Argyropoulos

Department of Electrical and Computer Engineering: Faculty Publications

Breaking reciprocity at the nanoscale can produce directional formation of images due to the asymmetric nonlinear optical response of subwavelength anisotropic resonators. The self-induced passive non-reciprocity has advantages compared to magnet or time modulation approaches and may impact both classical and quantum photonics.


Infrared Dielectric Functions And Brillouin Zone Center Phonons Of Α-Ga2O3 Compared To Α-Al2O3, Megan Stokey, Rafal Korlacki, Matthew J. Hilfiker, Sean Knight, Steffen Richter, Vanya Darakchieva, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Yuichi Oshima, Kamruzzaman Khan, Elaheh Ahmadi, Mathias Schubert Jan 2022

Infrared Dielectric Functions And Brillouin Zone Center Phonons Of Α-Ga2O3 Compared To Α-Al2O3, Megan Stokey, Rafal Korlacki, Matthew J. Hilfiker, Sean Knight, Steffen Richter, Vanya Darakchieva, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Yuichi Oshima, Kamruzzaman Khan, Elaheh Ahmadi, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

We determine the anisotropic dielectric functions of rhombohedral α-Ga2O3 by far-infrared and infrared generalized spectroscopic ellipsometry and derive all transverse optical and longitudinal optical phonon mode frequencies and broadening parameters. We also determine the high-frequency and static dielectric constants. We perform density functional theory computations and determine the phonon dispersion for all branches in the Brillouin zone, and we derive all phonon mode parameters at the Brillouin zone center including Raman-active, infrared-active, and silent modes. Excellent agreement is obtained between our experimental and computation results as well as among all previously reported partial information from experiment …


High-Frequency And Below Bandgap Anisotropic Dielectric Constants In Α-(AlXGa1-X)2O3 (0≤X≤1), Matthew Hilfiker, Ufuk Kilic, Megan Stokey, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Rafal Korlacki, Mathias Schubert Sep 2021

High-Frequency And Below Bandgap Anisotropic Dielectric Constants In Α-(AlXGa1-X)2O3 (0≤X≤1), Matthew Hilfiker, Ufuk Kilic, Megan Stokey, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Rafal Korlacki, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A Mueller matrix spectroscopic ellipsometry approach was used to investigate the anisotropic dielectric constants of corundum α-(AlxGa1-x)2O3 thin films in their below bandgap spectral regions. The sample set was epitaxially grown using plasma-assisted molecular beam epitaxy on m-plane sapphire. The spectroscopic ellipsometry measurements were performed at multiple azimuthal angles to resolve the uniaxial dielectric properties. A Cauchy dispersion model was applied, and high-frequency dielectric constants are determined for polarization perpendicular (ε∞,⟂) and parallel (ε∞,∥) to the thin film c-axis. The optical birefringence is negative throughout the …


Optical Phonon Modes, Static And High-Frequency Dielectric Constants, And Effective Electron Mass Parameter In Cubic In2O3, Megan Stokey, Rafal Korlacki, Sean Knight, Alexander Ruder, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Yuxuan Zhang, Hongping Zhao, Vanya Darakchieva, Mathias Schubert Jun 2021

Optical Phonon Modes, Static And High-Frequency Dielectric Constants, And Effective Electron Mass Parameter In Cubic In2O3, Megan Stokey, Rafal Korlacki, Sean Knight, Alexander Ruder, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Yuxuan Zhang, Hongping Zhao, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A complete set of all optical phonon modes predicted by symmetry for bixbyite structure indium oxide is reported here from a combination of far-infrared and infrared spectroscopic ellipsometry, as well as first principles calculations. Dielectric function spectra measured on high quality, marginally electrically conductive melt grown single bulk crystals are obtained on a wavelength-by-wavelength (also known as point-by-point) basis and by numerical reduction of a subtle free charge carrier Drude model contribution. A four-parameter semi-quantum model is applied to determine all 16 pairs of infrared-active transverse and longitudinal optical phonon modes, including the high-frequency dielectric constant, ε=4.05±0.05. The …


Voltage-Controlled Magnetic Anisotropy In Antiferromagnetic Mgo-Capped Mnpt Films, P. H. Chang, Wuzhang Fang, T. Ozaki, Kirill Belashchenko May 2021

Voltage-Controlled Magnetic Anisotropy In Antiferromagnetic Mgo-Capped Mnpt Films, P. H. Chang, Wuzhang Fang, T. Ozaki, Kirill Belashchenko

Kirill Belashchenko Publications

The magnetic anisotropy in MgO-capped MnPt films and its voltage control are studied using first-principles calculations. Sharp variation of the magnetic anisotropy with film thickness, especially in the Pt-terminated film, suggests that it may be widely tuned by adjusting the film thickness. In thick films the linear voltage control coefficient is as large as 1.5 and -0.6 pJ/Vm for Pt-terminated and Mn-terminated interfaces, respectively. The combination of a widely tunable magnetic anisotropy energy and a large voltage-control coefficient suggest that MgO-capped MnPt films can serve as a versatile platform for magnetic memory and antiferromagnonic applications.


Zinc Gallate Spinel Dielectric Function, Band-To-Band Transitions, And Γ-Point Effective Mass Parameters, Matthew J. Hilfiker, Megan Stokey, Rafal Korlacki, Ufuk Kilic, Zbigniew Galazka, Klaus Irmscher, Stefan Zollner, Mathias Schubert Mar 2021

Zinc Gallate Spinel Dielectric Function, Band-To-Band Transitions, And Γ-Point Effective Mass Parameters, Matthew J. Hilfiker, Megan Stokey, Rafal Korlacki, Ufuk Kilic, Zbigniew Galazka, Klaus Irmscher, Stefan Zollner, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

We determine the dielectric function of the emerging ultrawide bandgap semiconductor ZnGa2O4 from the near-infrared (0.75 eV) into the vacuum ultraviolet (8.5 eV) spectral regions using spectroscopic ellipsometry on high quality single crystal substrates. We perform density functional theory calculations and discuss the band structure and the Brillouin zone Γ-point band-to-band transition energies, their transition matrix elements, and effective band mass parameters. We find an isotropic effective mass parameter (0.24me) at the bottom of the Γ-point conduction band, which equals the lowest valence band effective mass parameter at the top of the highly anisotropic …


Plasmonic Waveguides To Enhance Quantum Electrodynamic Phenomena At The Nanoscale, Ying Li, Christos Argyropoulos Feb 2021

Plasmonic Waveguides To Enhance Quantum Electrodynamic Phenomena At The Nanoscale, Ying Li, Christos Argyropoulos

Department of Electrical and Computer Engineering: Faculty Publications

The emerging field of plasmonics can lead to enhanced light-matter interactions at extremely nanoscale regions. Plasmonic (metallic) devices promise to efficiently control both classical and quantum properties of light. Plasmonic waveguides are usually used to excite confined electromagnetic modes at the nanoscale that can strongly interact with matter. The analysis of these nanowaveguides exhibits similarities with their low frequency microwave counterparts. In this article, we review ways to study plasmonic nanostructures coupled to quantum optical emitters from a classical electromagnetic perspective. These quantum emitters are mainly used to generate single-photon quantum light that can be employed as a quantum bit …


Anisotropic Dielectric Functions, Band-To-Band Transitions, And Critical Points In Α-Ga2O3, Matthew J. Hilfiker, Rafal Korlacki, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Ufuk Kilic, Megan Stokey, Mathias Schubert Feb 2021

Anisotropic Dielectric Functions, Band-To-Band Transitions, And Critical Points In Α-Ga2O3, Matthew J. Hilfiker, Rafal Korlacki, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Ufuk Kilic, Megan Stokey, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

We use a combined generalized spectroscopic ellipsometry and density functional theory approach to determine and analyze the anisotropic dielectric functions of an α-Ga2O3 thin film. The sample is grown epitaxially by plasma-assisted molecular beam epitaxy on m-plane sapphire. Generalized spectroscopic ellipsometry data from multiple sample azimuths in the spectral range from 0.73 eV to 8.75 eV are simultaneously analyzed. Density functional theory is used to calculate the valence and conduction band structure. We identify, for the indirect-bandgap material, two direct band-to-band transitions with M0-type van Hove singularities for polarization perpendicular to the c axis, …


Surface Acoustic Waves Increase Magnetic Domain Wall Velocity, Anil Adhikari, Shireen Adenwalla Jan 2021

Surface Acoustic Waves Increase Magnetic Domain Wall Velocity, Anil Adhikari, Shireen Adenwalla

Shireen Adenwalla Papers

Domain walls in magnetic thin films are being explored for memory applications and the speed at which they move has acquired increasing importance. Magnetic fields and currents have been shown to drive domain walls with speeds exceeding 500 m/s. We investigate another approach to increase domain wall velocities, using high frequency surface acoustic waves to create standing strain waves in a 3 micron wide strip of magnetic film with perpendicular anisotropy. Our measurements, at a resonant frequency of 248.8 MHz, indicate that domain wall velocities increase substantially, even at relatively low applied voltages. Our findings suggest that the strain wave …


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 …


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, …


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 …


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, …


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 …


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 …


Computational Studies Of Thermal Properties And Desalination Performance Of Low-Dimensional Materials, Yang Hong Aug 2019

Computational Studies Of Thermal Properties And Desalination Performance Of Low-Dimensional Materials, Yang Hong

Department of Chemistry: Dissertations, Theses, and Student Research

During the last 30 years, microelectronic devices have been continuously designed and developed with smaller size and yet more functionalities. Today, hundreds of millions of transistors and complementary metal-oxide-semiconductor cells can be designed and integrated on a single microchip through 3D packaging and chip stacking technology. A large amount of heat will be generated in a limited space during the operation of microchips. Moreover, there is a high possibility of hot spots due to non-uniform integrated circuit design patterns as some core parts of a microchip work harder than other memory parts. This issue becomes acute as stacked microchips get …


Dielectric Function Tensor (1.5 Ev To 9.0 Ev), Anisotropy, And Band To Band Transitions Of Monoclinic Β-(AlXGa1–X)2O3 (X ≤ 0.21) Films, Matthew Hilfiker, Ufuk Kilic, Alyssa Mock, Vanya Darakchieva, Sean Knight, Rafal Korlacki, Akhil Mauze, Yuewei Zhang, James Speck, Mathias Schubert Jun 2019

Dielectric Function Tensor (1.5 Ev To 9.0 Ev), Anisotropy, And Band To Band Transitions Of Monoclinic Β-(AlXGa1–X)2O3 (X ≤ 0.21) Films, Matthew Hilfiker, Ufuk Kilic, Alyssa Mock, Vanya Darakchieva, Sean Knight, Rafal Korlacki, Akhil Mauze, Yuewei Zhang, James Speck, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A set of monoclinic β-(AlxGa1–x)2O3 films coherently grown by plasma-assisted molecular beam epitaxy onto (010)-oriented β-Ga2O3 substrates for compositions x ≤ 0.21 is investigated by generalized spectroscopic ellipsometry at room temperature in the spectral range of 1.5 eV–9.0 eV. We present the composition dependence of the excitonic and band to band transition energy parameters using a previously described eigendielectric summation approach for β-Ga2O3 from the study by Mock et al. All energies shift to a shorter wavelength with the increasing Al content in …


Electromagnon Excitation In Cupric Oxide Measured By Fabry-Pérot Enhanced Terahertz Mueller Matrix Ellipsometry, Sean Knight, Dharmalingam Prabhakaran, Christian Binek, Mathias Schubert Feb 2019

Electromagnon Excitation In Cupric Oxide Measured By Fabry-Pérot Enhanced Terahertz Mueller Matrix Ellipsometry, Sean Knight, Dharmalingam Prabhakaran, Christian Binek, Mathias Schubert

Christian Binek Publications

Here we present the use of Fabry-Pérot enhanced terahertz (THz) Mueller matrix ellipsometry to measure an electromagnon excitation in monoclinic cupric oxide (CuO). As a magnetically induced ferroelectric multiferroic, CuO exhibits coupling between electric and magnetic order. This gives rise to special quasiparticle excitations at THz frequencies called electromagnons. In order to measure the electromagnons in CuO, we exploit single-crystal CuO as a THz Fabry-Pérot cavity to resonantly enhance the excitation’s signature. This enhancement technique enables the complex index of refraction to be extracted. We observe a peak in the absorption coefficient near 0.705 THz and 215 K, which corresponds …


Phonon Order And Reststrahlen Bands Of Polar Vibrations In Crystals With Monoclinic Symmetry, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Vanya Darakchieva Jan 2019

Phonon Order And Reststrahlen Bands Of Polar Vibrations In Crystals With Monoclinic Symmetry, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Vanya Darakchieva

Department of Electrical and Computer Engineering: Faculty Publications

In this Rapid Communication, we present the order of the phonon modes and the appearance of the reststrahlen bands for monoclinic symmetry materials with polar lattice vibrations. Phonon modes occur in associated pairs of transverse and longitudinal optical modes, and pairs either belong to inner or outer phonon modes. Inner modes are nested within outer modes. Outer modes cause polarization-dependent reststrahlen bands. Inner modes cause polarization-independent reststrahlen bands. The directional limiting frequencies within the Born-Huang approach are bound to within outer mode frequency regions not occupied by inner mode pairs. Hence, an unusual phonon mode order can occur where both …


Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Sean Knight, Zbigniew Galazka, Günther Wagner, Virginia Wheeler, Marko Tadjer, Ken Goto, Vanya Darakchieva Jan 2019

Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Sean Knight, Zbigniew Galazka, Günther Wagner, Virginia Wheeler, Marko Tadjer, Ken Goto, Vanya Darakchieva

Department of Electrical and Computer Engineering: Faculty Publications

In this letter, we investigate a set of n-type single crystals of monoclinic symmetry β-Ga2O3 with different free electron concentration values by generalized far infrared and infrared spectroscopic ellipsometry. In excellent agreement with our previous model prediction, we find here by experiment that longitudinal-phonon-plasmon coupled modes are polarized either within the monoclinic plane or perpendicular to the monoclinic plane. As predicted, all modes change the amplitude and frequency with the free electron concentration. The most important observation is that all longitudinal-phonon-plasmon coupled modes polarized within the monoclinic plane continuously change their direction as a function of …


Lattice Dynamics Of Orthorhombic Ndgao3, Alyssa Mock, Rafal Korlacki, Sean Knight, Megan Stokey, Alex Fritz, Vanya Darakchieva, Mathias Schubert Jan 2019

Lattice Dynamics Of Orthorhombic Ndgao3, Alyssa Mock, Rafal Korlacki, Sean Knight, Megan Stokey, Alex Fritz, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A complete set of infrared-active and Raman-active lattice modes is obtained from density functional theory calculations for single-crystalline centrosymmetric orthorhombic neodymium gallate. The results for infrared-active modes are compared with an analysis of the anisotropic long-wavelength properties using generalized spectroscopic ellipsometry. The frequency-dependent dielectric function tensor and dielectric loss function tensor of orthorhombic neodymium gallium oxide are reported in the spectral range of 80–1200 cm−1. A combined eigendielectric displacement vector summation and dielectric displacement loss vector summation approach augmented by considerations of lattice anharmonicity is utilized to describe the experimentally determined tensor elements. All infrared-active transverse and longitudinal …