Condensed Matter Physics Commons^™

Establishing Ferromagnetism In Van Der Waals Antiferromagnets Mps3, Dinesh Upreti

Graduate Theses and Dissertations

Recent discoveries of magnetism in low dimensions not only have gained fundamental scientific interest but also holds significant potential in numerous technological applications, such as spintronics. This has led to a wide range of efforts in the synthesis of new layered materials or tuning their existing magnetic properties, which has been instrumental in understanding the novel physical concept and development of new technological frontiers. Transition metal thiophosphate, MPS3, is a class of layered antiferromagnet family. The rich magnetic/crystal structure with delicate choice of transition metal (M) together with intriguing optical, electronic, and ferroelectric properties have placed them as a model …

Strain Engineering Of Excitonic And Vibrational Properties In Two-Dimensional Transition Metal Dichalcogenides, Sneha Minesh Patel

Graduate Theses and Dissertations

Mechanical strain represents a robust and non-invasive method for tuning the electronic and vibrational properties of two-dimensional transition-metal dichalcogenides (TMDs). This work examines homogeneous biaxial strain as a symmetry-preserving control parameter that governs excitonic and interlayer dynamics in atomically thin TMDs. In monolayer MoSe2, biaxial tensile strain is intrinsically generated during high-temperature physical vapor deposition due to thermal expansion mismatch with amorphous substrates. Optical spectroscopy demonstrates substantial and tunable excitonic energy shifts exceeding 100 meV per percent strain. Polarization-resolved second harmonic generation confirms the retention of lattice symmetry under biaxial deformation. The investigation is further extended to bilayer MoS2, where …

Structural Relaxation In Glass-Forming Liquids At Extreme Pressure: Photon-Correlation Spectroscopy And Constrained Thermodynamic Surface Modeling, Kevin Wayne Lyon

Graduate Theses and Dissertations

Structural relaxation in glass-forming liquids is strongly dependent on both temperature and pressure, yet direct measurement of structural α-relaxation under multi-gigapascal compression has remained experimentally challenging. This work extends depolarized photon correlation spectroscopy (DPCS) to pressures approaching 5 GPa in a diamond anvil cell, representing the highest-pressure implementation of this technique and enabling direct measurement of the structural α-relaxation in a pure liquid at extreme compression. This capability provides access to dynamical regimes previously unexplored by photon correlation spectroscopy and establishes a platform for probing glassy dynamics at high pressure. To describe these measurements, a constrained relaxation-time surface framework is …

A Theoretical Investigation Of Photo-Induced Deformations And Transitions In Nanoscale Ferroelectrics, Carmel Dansou

Graduate Theses and Dissertations

This dissertation presents a comprehensive first-principles investigation into the interaction of light with ferroelectric materials, focusing on light-induced structural responses (photostriction) and phase transitions in Ferroelectric superlattices, epitaxially strained BiFeO3 thin films, and twodimensional NbOX2 (X = Cl, Br, I) ferroelectrics. The work aims to provide microscopic insights into how light can control the lattice structure and even the crystallographic phase in these systems, with the broader goal of informing the design of light-responsive functional materials for practical technological applications. The first part explores light-induced effects in PbTiO3/SrTiO3 superlattices with different polarization orientations. Our simulations reveal that photoexcitation modifies the …

Synthesis And Properties Study Of Layered Magnetic Topological Materials, Gokul Acharya

Graduate Theses and Dissertations

The discovery of topological materials (TMs) has opened up exciting opportunities for probing fundamental physics and enhancing innovative device integrations. These materials display various exotic properties, such as large magnetoresistance, high mobility, chiral anomaly, and surface Fermi arcs. The magnetic versions of ZrSiS family, LnSbTe and LnPS (Ln = lanthanide) have attracted intensive attention as these materials provide a new platform to study interplay between magnetism, topological states, and electron correlations. The vast pool of topological materials has provided exciting avenues to precisely engineer the topological states by modulating spin-orbital coupling, electronic dimensionality, and lattice constant through element substitutions. This …

Ab Initio Studies On Mechanical Properties Of Freestanding Ferroic Monolayers, John Malcolm Davis

Graduate Theses and Dissertations

This thesis explores the role of mechanical properties and elastic couplings in freestanding paradigmatic ferroic monolayers within the framework of density functional theory. This dissertation is comprised of three interconnected published studies: (i) establishing the elastic behavior across a temperature-driven phase transition in SnSe monolayers; (ii) thermally-driven phase transitions in graphene-like silicene, germanene, and stanene, examining the structural stability and band gap occlusion; and (iii) magnetoelastic coupling in an Ising-like CrSiTe3 monolayer, focused on assessing magnetic contributions to the material stiffness by establishing a proper non-magnetic reference.

How Graphene’S Berry Dipole Is Determined By Its Atomic Registry With A Substrate, Hannah K. Isbell

Physics Undergraduate Honors Theses

Since graphene’s discovery in 2004, it has been established as one of the most important materials in recent condensed matter history. Understanding its properties and potential uses has been the subject of intense scientific research around the world. Graphene’s unique physical properties allow it to serve a wide variety of purposes, from its everyday role in the formation of graphite in pencils to its more cutting-edge scientific functions in electronics and energy storage. Gaining a better understanding of graphene’s rich quantum landscape through geometric and topological phenomena, like Berry curvature and Berry dipole, could have significant implications for both theoretical …

Insulator-To-Metal Transition And Isotropic Gigantic Magnetoresistance In Layered Magnetic Semiconductors, Gokul Acharya, Bimal Neupane, Chia-Hsiu Hsu, Xian P. Yang, David Graf, Eun Sang Choi, Krishna Pandey, Md Rafique Un Nabi, Santosh Karki Chhetri, Rabindra Basnet, Sumaya Rahman, Jian Wang, Zhengxin Hu, Bo Da, Hugh O.H. Churchill, Guoqing Chang, M. Zahid Hasan, Yuanxi Wang, Jin Hu

Physics Faculty Publications and Presentations

Magnetotransport, the response of electrical conduction to external magnetic field, acts as an important tool to reveal fundamental concepts behind exotic phenomena and plays a key role in enabling spintronic applications. Magnetotransport is generally sensitive to magnetic field orientations. In contrast, efficient and isotropic modulation of electronic transport, which is useful in technology applications such as omnidirectional sensing, is rarely seen, especially for pristine crystals. Here a strategy is proposed to realize extremely strong modulation of electron conduction by magnetic field which is independent of field direction. GdPS, a layered antiferromagnetic semiconductor with resistivity anisotropies, supports a field-driven insulator-to-metal transition …

Substrate Interference And Strain In The Second-Harmonic Generation From Mose2 Monolayers, Sudeep Puri, Sneha Patel, Jose Luis Cabellos, Luis Enrique Rosas-Hernandez, Kaitlin Reynolds, Hugh O.H. Churchill, Salvador Barraza-Lopez, Bernardo S. Mendoza, Hiroyuki Nakamura

Physics Faculty Publications and Presentations

Nonlinear optical materials of atomic thickness, such as non-centrosymmetric 2H transition metal dichalcogenide monolayers, have a second-order nonlinear susceptibility (χ⁽²⁾) whose intensity can be tuned by strain. However, whether χ⁽²⁾ is enhanced or reduced by tensile strain is a subject of conflicting reports. Here, we grow high-quality MoSe₂ monolayers under controlled biaxial strain created by two different substrates and study their linear and nonlinear optical responses with a combination of experimental and theoretical approaches. Up to a 15-fold overall enhancement in second-harmonic generation (SHG) intensity is observed from MoSe₂ monolayers grown on SiO₂ when …

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …

Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley

Mechanical Engineering Faculty Publications and Presentations

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure P_H2 on the hydrogen-assisted fatigue crack growth rate (HA-FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The "transient regime" is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The "steady-state" behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and P_H2 as being functionally separable. In the transient …

Tuning Electronic Transport And Magnetic Properties Of Layered Magnetic Materials, Md Rafique Un Nabi

Graduate Theses and Dissertations

Two-dimensional magnetic materials (2DMMs) have gained significant interest due to their potential for novel physical phenomena and device applications. Mn_2-xZn_xSb, with its tunable magnetic properties and stable tetragonal layered structure, offers a rich platform for exploring these phenomena. The introduction of Zn into the Mn₂Sb lattice efficiently tunes magnetic and electronic properties, making it a compelling candidate for high-performance spintronic devices.

With this motivation, we synthesized Mn_2-xZn_xSb (0 ≤ x ≤ 1) single crystals using a flux method. Mn2Sb exhibits ferrimagnetic order below 550 K with antiparallel spins aligned along …

Photodegradation Of Microplastics Through Nanomaterials: Insights Into Photocatalysts Modification And Detailed Mechanisms, Yiting Xiao, Yang Tian, Wenbo Xu, Jun Zhu

Biological and Agricultural Engineering Faculty Publications and Presentations

Microplastics (MPs) pose a profound environmental challenge, impacting ecosystems and human health through mechanisms such as bioaccumulation and ecosystem contamination. While traditional water treatment methods can partially remove microplastics, their limitations highlight the need for innovative green approaches like photodegradation to ensure more effective and sustainable removal. This review explores the potential of nanomaterial-enhanced photocatalysts in addressing this issue. Utilizing their unique properties like large surface area and tunable bandgap, nanomaterials significantly improve degradation efficiency. Different strategies for photocatalyst modification to improve photocatalytic performance are thoroughly summarized, with a particular emphasis on element doping and heterojunction construction. Furthermore, this review …

Encapsulated 2d Materials And The Potential For 1d Electrical Contacts, Sarah Wittenburg

Physics Undergraduate Honors Theses

The utilization of two-dimensional materials and heterostructures, particularly graphene and hexagonal boron nitride, have garnered significant attention in the realm of nanoelectronics due to their unique properties and versatile functionalities. This study focuses on the synthesis and fabrication processes of monolayer graphene encapsulated between layers of hBN, aiming to explore the potential of these heterostructures for various electronic applications. The encapsulation of graphene within hBN layers not only enhances device performance but also shields graphene from environmental contaminants, ensuring long-term stability. Experimental techniques, including mechanical exfoliation and stamp-assisted transfer, are employed to construct three-layer stacks comprising hBN-graphene-hBN. The fabrication process …

Investigate The Importance Of Local Magnetic Moment And Magnetic Interaction In Superconducting Fese Monolayer Using Density Functional Calculations, Sudip Pokharel

Graduate Theses and Dissertations

In this dissertation, we present two projects to study superconducting FeSe monolayer using first-principles density functional calculations. Monolayer FeSe/SrTiO₃ system has very different properties as compared to its bulk counterpart in terms of critical superconducting temperature, Fermi surface topology and antiferromagnetic (AFM) stability. For FeSe monolayer, local magnetic moment (LMM) and AFM fluctuation are closely linked to superconductivity. However, LMM is not studied enough for FeSe monolayer. For FeSe/SrTiO₃ system, the substrate SrTiO₃ constrains the in-plane lattice constant for FeSe and also plays a crucial role in the onset and enhancement of superconductivity by providing charge transfer. …

Spin Disorder Control Of Topological Spin Texture, Hongrui Zhang, Yu-Tsun Shao, Xiang Chen, Binhua Zhang, Tianye Wang, Fanhao Meng, Kun Xu, Peter Meisenheimer, Xianzhe Chen, Xiaoxi Huang, Piush Behera, Sajid Husain, Tiancong Zhu, Hao Pan, Yanli Jia, Nick Settineri, Nathan Giles-Donovan, Zehao He, Andreas Scholl, Alpha N'Diaye, Padraic Shafer, Archana Raja, Changsong Xu, Lane W. Martin, Michael F. Crommie, Jie Yao, Ziqiang Qiu, Arun Majumdar, Laurent Bellaiche, David A. Muller, Robert J. Birgeneau, Ramamoorthy Ramesh

Physics Faculty Publications and Presentations

Stabilization of topological spin textures in layered magnets has the potential to drive the development of advanced low-dimensional spintronics devices. However, achieving reliable and flexible manipulation of the topological spin textures beyond skyrmion in a two-dimensional magnet system remains challenging. Here, we demonstrate the introduction of magnetic iron atoms between the van der Waals gap of a layered magnet, Fe₃GaTe₂, to modify local anisotropic magnetic interactions. Consequently, we present direct observations of the order-disorder skyrmion lattices transition. In addition, non-trivial topological solitons, such as skyrmioniums and skyrmion bags, are realized at room temperature. Our work highlights …

Fabrication Of Black Phosphorus Terahertz Photoconductive Antennas, Nathan Tanner Sawyers

Physics Undergraduate Honors Theses

Terahertz (THz) photoconductive antennas (PCAs) using 40nm thin-film flakes of black phosphorus (BP) and hexagonal boron nitride (hBN) have been shown computationally to be capable of THz emission comparable to those based on GaAs [2]. In this paper, I briefly describe the scientific and practical interest in THz emissions and explain what warrants research into black phosphorus as a photoconductive semiconductor in THz devices. Furthermore, I outline the basic principle of how these antennas work and mention alternative designs produced by other researchers in the past. Finally, I summarize the fabrication process of these antennas, as well as the measurements …

Automating The Determination Of Tight-Binding Representations For Two-Dimensional Ferroelectrics, Joseph Roll

Physics Undergraduate Honors Theses

Two-dimensional (atomically thin) materials have been greatly explored in the last two decades since the exfoliation of graphene in 2004. Since then, many exotic material properties have been shown for these systems; these new properties often arise from certain crystal symmetries or lack thereof. One of interest is ferroelectricity in which a noncentrosymmetric crystal structure can lead to a switchable intrinsic electric dipole in our material. This can then lead to second-harmonic generation in which two photons enter a material at a given frequency and one photon exits the material at double the original frequency. The study presented here makes …

Exploring Ferroelectric Phenomena In Batio3, Linbo3, And Liznsb: From Extended Oxygen Vacancies To Tri-Stable Polarization And Giant Hyperferroelectricity, Shaohui Qiu

Graduate Theses and Dissertations

This dissertation presents three projects that investigate the complex phenomena of ferroelectricity under different conditions in BaTiO3, LiNbO3, and LiZnSb using first-principles density functional calculations. Extended defects in ferroelectric solids play a crucial role in reducing the lifetime and performance of ferroelectric devices by causing fatigue, domain pinning, and aging. Thus, understanding their impact is of critical importance for the development of reliable and high-performance ferroelectric devices. In addition, hyperferroelectricity is an intriguing phenomenon that has attracted much attention in recent years. Despite the existence of depolarization field, spontaneous polarization persists under an open-circuit boundary condition (OCBC), making hyperferroelectric materials …

Understanding And Tuning Magnetism In Van Der Waals Magnetic Compounds, Rabindra Basnet

Graduate Theses and Dissertations

The recently discovered two-dimensional (2D) magnetism has attracted intensive attention due to possible magnetic phenomenon arising from 2D magnetism and their promising potential for spintronics applications. The advances in 2D magnetism have motivated the study of layered magnetic materials, and further enhanced our ability to tune their magnetic properties. Among various layered magnets, tunable magnetism has been widely investigated in metal thiophosphates MPX3. It is a class of magnetic van der Waals (vdW) materials with antiferromagnetic ordering persisting down to atomically thin limit. Their magnetism originates from the localized moments due to 3d electrons in transition metal ions. So, their …

Quantum Transport And Electric-Field Effects In Layered Topological Semimetals And Magnetic Materials, Arash Fereidouni Ghaleh Minab

Graduate Theses and Dissertations

This dissertation describes transport experiments on quantum devices in layered Dirac nodal line topological semimetals and antiferromagnetic materials down to a few layers. We used gate-induced effects to alter the transport properties of these materials.

First, we introduced current annealing in topological semimetals to achieve high-quality devices. We demonstrate current annealing to substantially improve the electronic transport properties of 2D topological semimetal flakes. Contact resistance and resistivity were improved by factors up to 2,000,000 and 20,000, respectively, in devices based on exfoliated flakes of two topological semimetals, ZrSiSe and BaMnSb2. Using this method, carrier mobility in ZrSiSe improved by a …

Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …

Controlling Magnetic Exchange And Anisotropy By Nonmagnetic Ligand Substitution In Layered M P X 3 ( M = Ni , Mn; X = S , Se), Rabindra Basnet, Kamila M. Kotur, Milosz Rybak, Cory Stephenson, Samuel Bishop, Carmine Autieri, Magdalena Birowska, Jin Hu

Physics Faculty Publications and Presentations

Recent discoveries in two-dimensional magnetism have intensified the investigation of van der Waals magnetic materials and further improved our ability to tune their magnetic properties. Tunable magnetism has been widely studied in antiferromagnetic metal thiophosphates MPX3. Substitution of metal ions M has been adopted as an important technique to engineer the magnetism in MPX3. In this work, we have studied the previously unexplored chalcogen X substitutions in MPX3 (M=Mn/Ni; X=S/Se). We synthesized the single crystals of MnPS3−xSex (0≤x≤3) and NiPS3−xSex (0≤x≤1.3) and investigated the systematic evolution of the magnetism with varying x. Our study reveals the effective tuning of magnetic …

Synthesis, Characterization, And Functionality Of Novel 2d Material Sn3p2, Cory Stephenson

Physics Undergraduate Honors Theses

In recent years, two-dimensional (2D) materials have gained a lot of attention due to their potential applications in devices and their promise to revolutionize technology. In our group, we are capable of synthesizing such materials and study their properties. I have discovered a new material of the tin-phosphorus family that displays the 2D layered structure and therefore shows potential to be used in future devices due to this reduced dimensionality from the typical three-dimensional counterpart. This 2D structure may allow for new phenomena to emerge as there is no longer any interatomic interactions along the z- axis. Under this motivation, …

Ab Initio Studies Of Structure And Properties Of Group-Iv Monochalcogenide Monolayers, Shiva Prasad Poudel

Graduate Theses and Dissertations

The goal of this dissertation is to study the structure of ferroelectric group-IV monochalcogenide monolayers (MMLs) and their material properties. This work also established a new buckled honeycomb phase of these monolayers. Chapter 1 serves as an introduction where the motivation for these studies is established. In chapter 2, I used eight different exchange-correlation functionals (XC) to study the structure of these 2D ferroelectrics and found that their properties are independent of the choice of XC functionals. These findings reveal that the ground-state ferroelectric unit cell can be described by only five independent parameters, whereas their paraelectric (square or rectangular) …

Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey

Graduate Theses and Dissertations

The demand for energy-efficient devices has been growing rapidly due to the need for data-driven technologies and the global energy crisis. As device size approaches the atomic scale, the miniaturization of electronic devices may stop in the near future unless fundamentally new materials or device concepts are developed. The emergent topological materials with exotic properties show remarkable robustness against crystal lattice defects, which are promising for next-generation technology. These materials host exotic properties such as high mobility, large magnetoresistance, chiral anomaly, and surface Fermi arcs, etc. Among various topological materials, the ZrSiS-family materials exhibit two types of Dirac states, which …

Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa

Graduate Theses and Dissertations

This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …

Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi

Graduate Theses and Dissertations

Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of …

Gaas Growth On Sapphire Substrates (C And R Plane) For Integrated Microwave Photonics (Imwp), Samir Kumar Saha

Graduate Theses and Dissertations

The microwave signal processing in the optical domain creates new opportunities for information and communication technology (ICT) and networks by increasing speed, bandwidth, and processing capability. IMWP incorporates the functions of microwave photonics components/subsystems in monolithic or hybrid photonic circuits to meet future needs. Sapphire platforms have the potential to integrate all-in-one, for instance, light source, analog signal processing, light detection, CMOS control circuit, silicon on sapphire to achieve high-performance, low-cost mixed-signal optical links etc. Molecular beam epitaxy (MBE) has been used to grow GaAs on sapphire substrates to integrate optoelectronic devices in the same platform.

The initial stage of …

Two-Dimensional Black Phosphorus For Terahertz Emission And Near-Field Radiative Heat Transfer, Mahmudul Hasan Doha

Graduate Theses and Dissertations

The main focus of this work is to investigate two potential optical and optoelectronic applications of black phosphorus (BP): the near-field radiative heat transfer in plasmonic heterostructures with graphene and terahertz emission from multi-layer BP photoconductive antennas. When the separation distance between graphene-black phosphorene is much smaller than or comparable to the thermal wavelength at different temperatures, a near-field radiation heat transfer breaks the Planck blackbody limit. The magnitude of the near-field radiation enhancement acutely depends on the gate voltage, doping, and vacuum gap of the graphene and BP pair. The strong near-field radiation heat transfer enhancement of the specific …