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Full-Text Articles in Condensed Matter Physics

Synthesis And Characterization Of Carbon Quantum Dots And Gold Nanoparticles For Norovirus Biosensing Applications In Water Systems, Breanne Evans Aug 2026

Synthesis And Characterization Of Carbon Quantum Dots And Gold Nanoparticles For Norovirus Biosensing Applications In Water Systems, Breanne Evans

Master's Theses

Rapid, reliable detection of viral pathogens remains a significant challenge across water-treatment and environmental monitoring systems, including drinking-water, wastewater, water reuse, and environmental surveillance applications. Waterborne viral contamination can pose substantial public-health risks, making early detection essential for protecting water quality and responding quickly to treatment failures or contamination events. Direct potable reuse (DPR) is one particularly demanding example because it requires continuous verification of treatment performance and the broader need for rapid virus monitoring extends across many water-treatment and environmental surveillance applications. Norovirus is a priority target because of its widespread occurrence in wastewater, environmental persistence, and exceptionally low …


The Role Of Zinc Precursor Concentration In Modulating The Structural, Optical, And Electrical Properties Of Sol-Gel Derived Czts Thin Films, Justine John Tibaijuka Jun 2026

The Role Of Zinc Precursor Concentration In Modulating The Structural, Optical, And Electrical Properties Of Sol-Gel Derived Czts Thin Films, Justine John Tibaijuka

Tanzania Journal of Science

This study reports on CZTS thin films fabricated by sol–gel spin coating using zinc acetate dihydrate, copper acetate dihydrate, tin chloride, and thiourea dissolved in methanol with monoethylamine as a stabilizer. The films were annealed rapidly at 540 °C by using an RTP furnace. Results show the significant influence of zinc concentration on films’ properties with band gap evolution between 1.46 and 1.7 eV, along with high absorption coefficients exceeding 10⁴ cm⁻¹ in the visible range. Structurally, the films evolved from poorly crystalline at low Zn content to well- crystallized, (112)-oriented kesterite near stoichiometry. However, excessive Zn caused slight degradation …


Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani Jun 2026

Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani

Makara Journal of Science

Humidity sensors are pivotal in numerous sectors, such as environmental monitoring, industrial automation, and health-care. This study presents the fabrication and detailed evaluation of an advanced humidity sensor using ethyl cellulose (EC)-coated LaFe0.925Ti0.075O3 (LFTO) perovskite nanoparticles synthesized via the sol-gel method. The LFTO nanopar-ticles exhibited a mesoporous structure with an enhanced surface area, which significantly improved their moisture adsorption capabilities. The innovative application of EC coating addresses critical substrate adhesion issues, enhancing mechanical stability without compromising sensor sensitivity. Comprehensive performance evaluations revealed minimal hysteresis (


Investigating The Effects Of Pressure On Fe And Co Intercalated 2h-Tas2 Through First-Principle Calculations, Ronald E. Putnam Jr. Jan 2026

Investigating The Effects Of Pressure On Fe And Co Intercalated 2h-Tas2 Through First-Principle Calculations, Ronald E. Putnam Jr.

UNF Graduate Theses and Dissertations

Using first-principles methods, we investigate the effects of applied isotropic pressure on the electronic and magnetic properties of intercalated Fe1/3TaS2 and Co1/3TaS2. Fe1/3TaS2 has been shown to be a ferromagnet that undergoes structural and magnetic phase transitions under applied pressure. The magnetic phase transitions are observed to be linked to the structural shift, and a mixture of magnetic phase states is present between 3 GPa and 6 GPa. Co1/3TaS2 was found to be antiferromagnetic, as confirmed by experimental work. One- and two-unit-cell systems of Co1/3TaS2 are analyzed, both showing band splitting that disappears under pressure. The application of pressure forces …


A Study Of Wear Measurement And Life Prediction Of Insert Chute Liner On Gold Ore Processing, Ferry Ardika Natanael, Nony Maulidya, Dedi Priadi Aug 2025

A Study Of Wear Measurement And Life Prediction Of Insert Chute Liner On Gold Ore Processing, Ferry Ardika Natanael, Nony Maulidya, Dedi Priadi

Journal of Materials Exploration and Findings

Chutes are critical materials handling assets to transport solid particles from one process step to another in mineral processing, coal mining and cement industries. The material transport, because of material characteristics, cause severe wear on internal lining of chutes or bins’ structure. The wear problem on internal lining of bins or chutes needs to be checked to keep production efficiency. Therefore, not checked wear rate causes liner replacement schedule becomes unpredictable. It leads to production loss and highly cost maintenance in industry. This study shows that condition-based maintenance through regular thickness measurement using Ultrasonic Transducer (UT) to predict life service …


Analysis Of Leak Testing Planning For Carbon Dioxide Piping Systems In The Development Of Carbon Capture, Utilization, And Storage Facilities In The Bintuni Basin, Devi Sentiani, Akhmad Herman Yuwono Professor Aug 2025

Analysis Of Leak Testing Planning For Carbon Dioxide Piping Systems In The Development Of Carbon Capture, Utilization, And Storage Facilities In The Bintuni Basin, Devi Sentiani, Akhmad Herman Yuwono Professor

Journal of Materials Exploration and Findings

Carbon Capture, Utilization, and Storage (CCUS) technologies have become a key strategic response to global efforts to reduce CO2 emissions. This study presents a leak testing strategy designed for a carbon dioxide (CO₂) piping system as part of a Carbon Capture, Utilization, and Storage (CCUS) project in the Bintuni Basin, West Papua, Indonesia. This study aims to ensure the system is properly prepared before commissioning by designing a leak test plan that is both practical and technical, based on ASME B31.3, ASME PCC-2, and API STD 520 Part 1. We conducted the process, which involves identifying the system boundaries, …


Low-Field Magnetoresistance In Nanocomposites Of La₀.₇Sr₀.₃Mno₃ And Metal Oxides, Nicholas K. Thiel-Hudson May 2025

Low-Field Magnetoresistance In Nanocomposites Of La₀.₇Sr₀.₃Mno₃ And Metal Oxides, Nicholas K. Thiel-Hudson

University Scholar Projects

Pure La0.7Sr0.3MnO3 (LSMO) exhibits colossal magnetoresistance (CMR) with large applied magnetic field over a narrow temperature range (intrinsic behavior), limiting its application to narrow temperature ranges. In contrast, the extrinsic CMR effect originates from inhomogeneities at larger length scales, such as grain boundaries and phase separation, where the structural features act as tunneling barriers, leading to a low-field magnetoresistance (LFMR) response, thereby expanding the application of LSMO into the low-field regime over a broader temperature range. In this work, the magnetotransport behavior of pure LSMO thin film is compared to the composite layered heterostructures of …


Effect Of Niobium Dopant On Zno Thin Films Prepared Via The Sol–Gel Spin Coating Method, Kevin Alvin Eswar, Nur Fairuz Rostan, Maryam Mohamad, Rabiatuladawiyah Md Akhir, Rosfayanti Rasmidi, Muliyadi Guliling, Najwa Ezira Azhar, Irmaizatussyehdany Buniyamin, Mohd Firdaus Malek, Mohamad Rusop Mahmood, Husairi Fadzilah Suhaimi, Saifollah Abdullah Mar 2025

Effect Of Niobium Dopant On Zno Thin Films Prepared Via The Sol–Gel Spin Coating Method, Kevin Alvin Eswar, Nur Fairuz Rostan, Maryam Mohamad, Rabiatuladawiyah Md Akhir, Rosfayanti Rasmidi, Muliyadi Guliling, Najwa Ezira Azhar, Irmaizatussyehdany Buniyamin, Mohd Firdaus Malek, Mohamad Rusop Mahmood, Husairi Fadzilah Suhaimi, Saifollah Abdullah

Makara Journal of Science

Thin films of zinc oxide (ZnO) and niobium (Nb)-doped ZnO were deposited on a glass substrate using the sol–gel spin coating method. Diethanolamine, isopropyl alcohol, and zinc acetate served as the stabilizers, solvent, and starting ma-terial, respectively. Niobium pentachloride was employed as the dopant source. Energy-dispersive X-ray analysis con-firmed Nb incorporation. Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), and ultravio-let–visible spectroscopy (UV–Vis) analyses characterized the morphology, structure, and optics of the films, respective-ly. Both films, comprising nanoparticles, were visible in FESEM. Nb doping reduced the particle size from 44.2 nm to 35.8 nm. The XRD peaks at 31.23°, …


Characterization And Optimization Of Sand And Tung Oil-Based Resins For Binder-Jet 3d Printing, Daniel I. Ajiola Jan 2025

Characterization And Optimization Of Sand And Tung Oil-Based Resins For Binder-Jet 3d Printing, Daniel I. Ajiola

College of Graduate Studies: Theses & Dissertations

Binder-jet 3D printing as a transformative technology in additive manufacturing, offers the ability to fabricate complex structures with diverse materials. This thesis investigates the use of a sustainable tung oil-based resin to create composites, exploring the potential for an eco-friendly alternative to synthetic binders.

The aim of this research is to develop and characterize a bio-based resin formulation, using tung oil as the primary binder, for application in binder-jet 3D printing with sand as the reinforcement. The resin formulation was prepared by combining tung oil, n-butyl methacrylate, divinylbenzene, and di-tert-butyl peroxide in precise proportions, ensuring a balanced mixture that supports …


Frustrated Quantum Magnetism: The Interplay Of Isotropic And Anisotropic Interactions With Application To Α-Rucl3, Evan M. Wilson Jan 2025

Frustrated Quantum Magnetism: The Interplay Of Isotropic And Anisotropic Interactions With Application To Α-Rucl3, Evan M. Wilson

UNF Graduate Theses and Dissertations

We investigate how anisotropic spin interactions, including Dzyaloshinskii–Moriya and Kitaev terms, manifest across quantum spin systems ranging from a single S = 1/2 dimer to molecular spin clusters and layered magnetic materials. Beginning with an exact analysis of the spin dimer, we demonstrate how singlet–triplet mixing induced by Dzyaloshinskii–Moriya interaction directly influences both thermodynamic observables and inelastic neutron scattering spectra. These microscopic fingerprints are then extended to trimer, tetramer, and tetrahedron geometries, where field-induced phase transitions and heat capacity anomalies reveal the interplay between isotropic Heisenberg and anisotropic Kitaev exchanges. In the frustrated zigzag honeycomb lattice, we show that a …


Spin And Charge Transport In Metallic Ferrimagnets And Disordered Magnetic Oxides, Leopoldo A. Hernandez Jun 2024

Spin And Charge Transport In Metallic Ferrimagnets And Disordered Magnetic Oxides, Leopoldo A. Hernandez

Electronic Theses and Dissertations

Recent efforts have been exploring the use of thin film synthetic ferrimagnets and disordered magnetic oxides for applications in spintronic devices. Due to the antiferromagnetic exchange interaction, ferrimagnetic materials offer the ultrafast dynamics of the antiferromagnetic exchange, with a net magnetization that can be influenced externally. With two, or more, competing ferromagnet sublattices, interesting properties arise that depend on the final magnetic landscape after growth of the material and it’s inherent magnetic anisotropy energies. Properties such as magnetic compensation temperatures, and perpendicular magnetic anisotropy are attractive for applications in spintronic memory and logic devices, some already being implemented in MRAM …


The Interplay Of Spin, Charge, And Heat: From Metal/Insulator Heterostructures To Perovskite Bilayers, Sam M. Bleser Mar 2024

The Interplay Of Spin, Charge, And Heat: From Metal/Insulator Heterostructures To Perovskite Bilayers, Sam M. Bleser

Electronic Theses and Dissertations

In this dissertation begin with an investigation of non-local spin transport in an amorphous germanium (a-Ge) sample via the inverse spin Hall effect (ISHE). In that study we show that commonly used techniques such as differential conductance and delta mode of a paired Keithley 6221/2182a for non-local resistance measurements can lead to false indicators of spin transport. Next, we turn out attention to a thickness dependent study in thermally-evaporated chromium (Cr) thin films on a bulk polycrystalline yttrium-iron-garnet (YIG) substrate. This project analyzed the spin transport in the Cr films versus thickness via the longitudinal spin Seebeck effect (LSSE). This …


Processing, Stability, And High-Temperature Properties Of Doped Lacro3-Based Refractory Ceramics And Composites For Harsh Environments Sensing Applications, Javier A. Mena Jan 2024

Processing, Stability, And High-Temperature Properties Of Doped Lacro3-Based Refractory Ceramics And Composites For Harsh Environments Sensing Applications, Javier A. Mena

Graduate Theses, Dissertations, and Problem Reports (ETD)

In order to test and monitor the operational stability and conditions of various energy, transportation, and manufacturing systems and their components, accurate sensors capable of operating at temperatures over 1000 °C in various environments for long durations are required. In addition, many of these harsh environmental systems do not permit sensors to be directly inserted into the environment, so the sensors need to be embedded into the surrounding support or thermal protective materials. Some technological and industrial applications that require the use of harsh environment conditions sensing include nuclear and chemical reactors, jet engines, heavyduty gas turbines, rotating bearings in …


Optimizing Mn-Al Permanent Magnet Performance Through Control Of The Phase Transformation, Ternary Element Addition, And Advanced Processing, Thomas R. Keller Sep 2023

Optimizing Mn-Al Permanent Magnet Performance Through Control Of The Phase Transformation, Ternary Element Addition, And Advanced Processing, Thomas R. Keller

Dartmouth College Ph.D Dissertations

The growing need for electrical power in machines and vehicles brings with it a growing need for critical materials. The current high-performance permanent magnets (PMs) based on rare-earth (RE) elements Nd and Sm cannot escape the problem of raw material cost, geographic scarcity in the earth’s crust, and lack of circular global supply chains. This poses a problem of industrial ecology: can PMs be made from inexpensive, more abundant materials while still meeting sufficient performance criteria? PMs based on the magnetic τ phase of Mn-Al offer a possible alternative to REPMs. However, years of innovation have not yet achieved real-world …


Effective Nanomembranes From Chitosan/Pva Blend Decorated Graphene Oxide With Gum Rosin And Silver Nanoparticles For Removal Of Heavy Metals And Microbes From Water Resources, Mohamed Morsy May 2023

Effective Nanomembranes From Chitosan/Pva Blend Decorated Graphene Oxide With Gum Rosin And Silver Nanoparticles For Removal Of Heavy Metals And Microbes From Water Resources, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.


Synthesis And Characterization Of Cage-Structured Compounds As Promising Thermoelectric Materials, Nusrat Yasmin Jan 2023

Synthesis And Characterization Of Cage-Structured Compounds As Promising Thermoelectric Materials, Nusrat Yasmin

Graduate Theses/Dissertations

The development of new thermoelectric materials is of great interest due to their potential to convert waste heat into useful electricity. The primary problem is that the physical factors that are utilized to assess thermoelectric performance conflict with one another. One way to improve their performance is to hinder the lattice from conducting heat through its vibrations while maintaining the heat conduction via the electrons. This can be done by creating cage structures that allow heavy atoms to jiggle. In this study, we report the synthesis of a group of such compounds, using the self-flux method. They all belong to …


Development Of High Kinetic Inductance Superconducting Nanowire Devices On High Permittivity Strontium Titanate Substrates, Jamie Timmons Jan 2023

Development Of High Kinetic Inductance Superconducting Nanowire Devices On High Permittivity Strontium Titanate Substrates, Jamie Timmons

UNF Graduate Theses and Dissertations

This thesis involves the fabrication and characterization of devices made from two different superconducting materials: yttrium barium copper oxide (YBCO), a high-TC complex oxide, and niobium nitride (NbN), a low-TC transition metal nitride. Both types of devices are fabricated on strontium titanate substrates, which provides a good lattice match to YBCO and also an extremely large permittivity at low temperature. We demonstrate that wet etching of YBCO thin films via bromine can be a viable microfrabriation technique for the material. Using approximately 35 nm thick epitaxially grown YBCO on an STO substrate, we were able to fabricate YBCO “microwires” with …


Mechanical And Morphological Characterization Of Energy Materials By Nanoindentation And Scanning Probe Microscopy, Jacob Hempel Jan 2023

Mechanical And Morphological Characterization Of Energy Materials By Nanoindentation And Scanning Probe Microscopy, Jacob Hempel

Theses and Dissertations--Physics and Astronomy

The demand for robust materials in energy-based applications such as solid electrolytes for batteries, piezoelectric composites for mechanical energy harvesting, or new polymer materials for polymer binders in composite electrodes is on the rise. Mechanical degradation is the most common way for devices to fail in operation, thus a thorough understanding of a material’s mechanical properties is essential for application purposes.

In this dissertation, the mechanical characterization of novel boron cluster solid electrolytes is presented. Therein, we determine the elastic modulus and hardness of these compounds using instrumented indentation. A comparison is made against other solid electrolytes. It is found …


Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, Megan Hoover Aug 2022

Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, Megan Hoover

All Dissertations

Quantum-mechanical calculations using density functional theory with the generalized gradient approximation were employed to investigate the effects dopants have on the uranium dioxide (UO2) structure. Uraninite is a common U4+ mineral in the Earth's crust and an important material used to produce energy and medical isotopes. Though the incorporation mechanism remains unclear, divalent cations are known to incorporate into the uranium dioxide system. Three charge-balancing mechanisms were evaluated to achieve a net neutral system, including the substitution of (1) a divalent cation for a tetravalent uranium atom and oxygen atom; (2) two divalent cations for a tetravalent …


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.


Observation Of New Particle Formation In The Northern Hemisphere At Altitude From 4 To 20 Km, Mohamed Saad Jan 2021

Observation Of New Particle Formation In The Northern Hemisphere At Altitude From 4 To 20 Km, Mohamed Saad

Electronic Theses and Dissertations

New particle formation (NPF) is investigated using measurements of aerosol size distributions and meteorological variables made in two continents, including USA and Europe. Despite the considerably different aerosol particle abundances among the sites, a common relationship was found between the characteristics of NPF events and the air mass convective and/or advective transport. CO and O3 act as tracers of tropospheric and stratospheric air, respectively, their statistical relationship can be used to quantify air mass characteristics and origins. The mixing ratio values of CO increased within the upper troposphere layer before/during NPF events, which may serve as an indicator of occurring …


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 …


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, …


Fabrication Of Magnetocaloric La(Fe,Si)13 Thick Films, N H. Dung, N B. Doan, P De Rango, L Ranno, Karl G. Sandeman, N M. Dempsey Jun 2020

Fabrication Of Magnetocaloric La(Fe,Si)13 Thick Films, N H. Dung, N B. Doan, P De Rango, L Ranno, Karl G. Sandeman, N M. Dempsey

Publications and Research

La(Fe,Si)13–based compounds are considered to be very promising magnetocaloric materials for magnetic refrigeration applications. Many studies have focused on this material family but only in bulk form. In this paper we report on the fabrication of thick films of La(Fe,Si)13, both with and without post-hydriding. These films exhibit magnetic and structural properties comparable to bulk materials. We also observe that the ferromagnetic phase transition has a negative thermal hysteresis, a phenomenon not previously found in this material but which may have its origins in the availability of a strain energy reservoir, as in the cases of …


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, …


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 …


Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka Jan 2020

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

Dissertations, Master's Theses and Master's Reports

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


Study Of Amorphous Boron Carbide And Hydrogenated Boron Carbide Materials Using Molecular Dynamics And Hybrid Reverse Monte Carlo, Rajan Khadka Dec 2019

Study Of Amorphous Boron Carbide And Hydrogenated Boron Carbide Materials Using Molecular Dynamics And Hybrid Reverse Monte Carlo, Rajan Khadka

Graduate Theses/Dissertations

We present a computational study of amorphous boron carbide (a-BxC) models using Molecular Dynamics (MD) studied with Stillinger-Weber (SW) and ReaxFF potential. The atomic structure factor (S(Q)), radial distribution function (RDF) and bond lengths comparison with other experimental and ab initio models shows that a random arrangement of icosahedra (B12, B11C) interconnected by chains (CCC, CBC) are present in a-BxC. Afterward, Hybrid Reverse Monte Carlo (HRMC) technique is used to recreate a-BxC structures. The existing SW potential parameters of Boron are optimized for the α-rhombohedral (Icosahedral B12 …