Condensed Matter Physics Commons^™

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

Peter Dowben Publications

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

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 …

Thermodynamic Properties Of Transverse Field Quantum Ising Model Using Tensor Network Formalism, Sin Yang Pang

Student Works (2020-2029)

Ising model has been successful in describing ferromagnetism and its phase transition to paramagnet. At the critical point, the free energy density function and its derivatives diverge. Their behaviour near the critical point are described by power-laws with associated critical exponents. In many cases, the critical exponents can be determined from analytic solutions via conventional renormalization groups methods or from Monte Carlo simulations. However, for quantum many-body systems, very few are tractable to analytical solutions. The quantum many-body wavefunction belongs to large dimensional Hilbert space that increases exponentially with system size. If the Hamiltonian is gapped and only local interaction …

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 …

Electron-Induced Massive Dynamics Of Magnetic Domain Walls, Hilary M. Hurst, Victor Galitski, Tero T. Heikkilä

Faculty Research, Scholarly, and Creative Activity

We study the dynamics of domain walls (DWs) in a metallic, ferromagnetic nanowire. We develop a Keldysh collective coordinate technique to describe the effect of conduction electrons on rigid magnetic structures. The effective Lagrangian and Langevin equations of motion for a DW are derived. The DW dynamics is described by two collective degrees of freedom: position and tilt-angle. The coupled Langevin equations therefore involve two correlated noise sources, leading to a generalized fluctuation-dissipation theorem (FDT). The DW response kernel due to electrons contains two parts: one related to dissipation via FDT, and another `inertial' part. We prove that the latter …

Defect-Free Plastic Deformation Through Dimensionality Reduction And Self-Annihilation Of Topological Defects In Crystalline Solids, Yipeng Gao, Yongfeng Zhang, Larry K. Aagesen, Jianguo Yu, Min Long, Yunzhi Wang

Computer Science Faculty Publications and Presentations

As a signature of symmetry-breaking processes, the generation and annihilation of topological defects (domain walls, strings, etc.) are of great interest in condensed matter physics and cosmology. Here we propose a distinctive self-organization process through phase transitions, in which all the generated topological defects are dimensionality reduced and self-annihilated. In crystalline solids, such a unique mechanism allows a perfect single crystal after plastic deformation, which originates from the coupling of different types of broken symmetries.

Duality In A Model Of Layered Superfluids And Sliding Phases, Steven Vayl

Dissertations, Theses, and Capstone Projects

The intent of my project is to determine if the proposal of sliding phases in XY layered systems has physical ground. It will be done by comparing numerical and analytical results for a layered XY models. Sliding phases were first proposed in the context of DNA complexes and then extended to XY models, 1D coupled wires and superfluid films. The existence of the sliding phase would mean that there is a phase transition from 3D to 2D behavior. Such systems have been studied both in the clean case and with disorder. The idea of the sliding phases is based on …

Density Functional Theory Study Of Two-Dimensional Boron Nitride Films, Pradip R. Niraula

Dissertations, Theses, and Capstone Projects

Since graphene was isolated in 2004, the number of two-dimensional (2D) materials and their scientific relevance have grown exponentially. Besides graphene, one of the most important and technolocially promizing 2D materials that has emerged in recent years is hexagonal boron nitride, in its monolayer or multilayer form. In my thesis work, I used density functional theory (DFT) calculations to investigate the properties of boron nitride films. In particular, I first studied the properties (i.e. formation energy, defect states, and structure) of point charged defects in monolayer and bilayer hexagonal boron nitride, and subsequently, I focused on the linear and nonlinear …

Ii-Vi Type-Ii Quantum Dot Superlattices For Novel Applications, Vasilios Deligiannakis

Dissertations, Theses, and Capstone Projects

In this thesis, we discuss the growth procedure and the characterization results obtained for epitaxially grown submonolayer type-II quantum dot superlattices made of II-VI semiconductors. We have investigated the spin dynamics of ZnSe layers with embedded type-II ZnTe quantum dots and the use of (Zn)CdTe/ZnCdSe QDs for intermediate band solar cell (IBSC). Samples with a higher quantum dot density exhibit longer electron spin lifetimes, up to ~1 ns at low temperatures. Tellurium isoelectronic centers, which form in the ZnSe spacer regions as a result of the growth conditions, were also probed. A new growth sequence for type-II (Zn)CdTe/ZnCdSe (QDs) was …

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

Student Works (2020-2029)

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

Examining Interaction Effects In 2d Fermi Gases Using Renormalization Group Theory, Sri Laalitya Uppalapati

LSU Doctoral Dissertations

We use the Renormalization Group (RG) method within the perturbation theory framework to study properties of a balanced, two-dimensional Fermi gas with short-range, attractive interactions in non-superfluid (normal) phase. We find that the RG method allows for the evaluation of logarithmic corrections to Equations of State in various regimes of density and temperature. We present two calculations using RG with perturbation theory. The first being a simplified RG scheme with an interpolation of crossover between RG flow in different regimes. The second calculation features a rigorous derivation whereby the Green's function within a standard perturbation theory is renormalized to derive …

Vibrational And Electronic Structure Of Environmentally Persistent Free Radicals Formed On Metal Oxide Nanoclusters And Single-Crystal Surfaces, Nadra Ibrahim Sakr

LSU Doctoral Dissertations

We have studied the morphology and electronic structure of transition metal oxides (TMOs) nanoparticles and single-crystal surfaces which are known to be active for the formation of environmentally persistent free radicals (EPFRs) from organic precursors. We have also investigated the effect of simulated solar irradiation on the formed EPFRs.

First, we examined the change in the vibrational and structural properties of TiO₂, ZnO, CuO, and Fe₂O₃ nanoparticles due to phenol adsorption at high temperature and thus EPFR formation on the surface of these TMOs. The paramagnetic signal observed by electron paramagnetic resonance (EPR) indicates the …

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

Robert Streubel Papers

The amorphous iron-germanium system (a-Fe_xGe_1-x) lacks long-range structural order and hence lacks a meaningful Brillouin zone. The magnetization of a-Fe_xGe_1-x is well explained by the Stoner model for Fe concentrations x above the onset of magnetic order around x=0.4, indicating that the local order of the amorphous structure preserves the spin-split density of states of the Fe-3d states sufficiently to polarize the electronic structure despite k being a bad quantum number. Measurements reveal an enhanced anomalous Hall resistivity ρ_xy^AH relative to crystalline FeGe; this ρ_xy^AH is compared to density-functional …

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

Nebraska Center for Materials and Nanoscience: Faculty Publications

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

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

Peter Dowben Publications

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

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

Peter Dowben Publications

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

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

Robert Streubel Papers

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

Studies On Secondary Electron Emission Induced Charging In Dielectric Materials: Novel Methods And Applications For Space And Plasma Technologies, Leandro Olano Garcia

Theses and Dissertations

The interaction of ionizing radiation with matter is of critical importance in many areas of science and technology such as space and plasma technology. Secondary electron emission is a direct consequence of electron irradiation on materials. To characterize materials in terms of secondary electron emission, the secondary emission yield (SEY) and the energy spectra of the secondary electrons are key physical properties. Secondary emission yields of materials are usually too high to avoid Multipactor effect or other related phenomena in applications for space. In addition, the measurement of electron energy spectra of secondary electrons in dielectric materials is a challenge …

Polar Coupling Enabled Nonlinear Optical Filtering At Mos2/Ferroelectric Heterointerfaces, D. W. Li, Xi Huang, Zhiyong Xiao, Hanying Chen, Le Zhang, Yifei Hao, Jingfeng Song, Ding-Fu Shao, Evgeny Y. Tsymbal, Yongfeng Lu, Xia Hong

Evgeny Tsymbal Publications

Complex oxide heterointerfaces and van der Waals heterostructures present two versatile but intrinsically different platforms for exploring emergent quantum phenomena and designing new functionalities. The rich opportunity offered by the synergy between these two classes of materials, however, is yet to be charted. Here, we report an unconventional nonlinear optical filtering effect resulting from the interfacial polar alignment between monolayer MoS₂ and a neighboring ferroelectric oxide thin film. The second harmonic generation response at the heterointerface is either substantially enhanced or almost entirely quenched by an underlying ferroelectric domain wall depending on its chirality, and can be further tailored …

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

Evgeny Tsymbal Publications

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