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Full-Text Articles in Condensed Matter Physics

Ferroelectric Hafnia Surface In Action, Xia Hong Sep 2023

Ferroelectric Hafnia Surface In Action, Xia Hong

Nebraska Center for Materials and Nanoscience: Faculty Publications

Piezoresponse microscopy and spectroscopy reveal the inextricable role of surface electrochemistry in stabilizing and controlling ferroelectricity in doped hafnia.

Doped hafnia (HfO2), a relatively new member of the ferroelectric family, has challenged in many ways our conventional perception of ferroelectric oxides. It possesses extremely localized electric dipoles that are independently switchable,1 making it immune to finite size effects — the loss of long-range dipole order in ferroic materials due to size scaling. While polycrystalline grains and microstructures can yield lower polarization and poorer cycling behavior in canonical ferroelectrics such as Pb(Zr,Ti)O3 and BaTiO3, in …


Synthesis, Characterization, And Simulation Of Two-Dimensional Materials, Lawrence Hudy Aug 2023

Synthesis, Characterization, And Simulation Of Two-Dimensional Materials, Lawrence Hudy

Theses and Dissertations

ABSTRACT

SYNTHESIS, CHARACTERIZATION, AND SIMULATION OF TWO-DIMENSIONAL MATERIALS

by

Lawrence Hudy

The University of Wisconsin-Milwaukee, 2023Under the Supervision of Professor Michael Weinert

This dissertation focuses on my journey through many aspects of surface science leading to the first principles investigation of transition metal dichalcogenides studying the impact of defects, twist, and decreasing interlayer separation to probe their effect on the electronic properties of these materials. My journey started out learning many aspects of material science such as methods for material synthesis and characterization but later ended on simulation of material properties using density functional theory. In the first experiments, we …


Domain Wall Saddle Point Morphology In Ferroelectric Triglycine Sulfate, C. J. Mccluskey, A. Kumar, Alexei Gruverman, I. Luk’Yanchuk, J. M. Gregg May 2023

Domain Wall Saddle Point Morphology In Ferroelectric Triglycine Sulfate, C. J. Mccluskey, A. Kumar, Alexei Gruverman, I. Luk’Yanchuk, J. M. Gregg

Alexei Gruverman Publications

Ferroelectric domain walls, across which there is a divergence in polarization, usually have enhanced electrical conductivity relative to bulk. However, in lead germanate, head-to-head and tail-to-tail walls are electrically insulating. Recent studies have shown that this is because, when oppositely oriented domains meet, polar divergence is obviated by a combination of domain bifurcation and suspected local dipolar rotation. To explore the uniqueness, or otherwise, of this microstructure, we have used tomographic piezoresponse force microscopy to map three-dimensional domain morphologies in another uniaxial ferroelectric system: triglycine sulfate. This mapping reveals an abundance of domain wall saddle points, which are characteristic of …


Computational Modeling Of Superconductivity From The Set Of Time-Dependent Ginzburg-Landau Equations For Advancements In Theory And Applications, Iris Mowgood May 2023

Computational Modeling Of Superconductivity From The Set Of Time-Dependent Ginzburg-Landau Equations For Advancements In Theory And Applications, Iris Mowgood

Computational and Data Sciences (PhD) Dissertations

A full review of the research conducted and published during my PhD studies in Computational and Data Sciences at Chapman University, under the advisement of Dr. Armen Gulian, are presented. Using the set of time-dependent Ginzburg-Landau (TDGL) equations with inclusion of the interference current and the non-equilibrium phonon term, we modeled the dynamics of superconductors in various theory revealing states and practical purposes. A review of the history and phenomenon of superconductivity, including modern applications, is introduced. The Josephson effect and associated Josephson junction are discussed for comparison to our analogous results with the 1-D superconducting wire. The mathematics of …


Response Of The Isothermal Mode Grüneisen Tensor Across Phase Boundaries, Jasmine K. Hinton May 2023

Response Of The Isothermal Mode Grüneisen Tensor Across Phase Boundaries, Jasmine K. Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

The assumptions for the 1912 Grüneisen parameter are reviewed, particularly in the cases of anisotropy, high temperatures, and across phase boundaries. Two main case studies are shown: β-Sn, and Cd. The main techniques of this work involve resistively heated diamond anvil cells with both optical Raman spectroscopy and x-ray diffraction. It is found in Sn that the isothermal mode Grüneisen tensor along increasing isotherms diverges from the single-valued temperature aggregate at the onset of melt, and this is proposed to use as a method of exploring melt phase boundaries in other systems. This method is examined once again on another …


Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith May 2023

Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Hydrogen was predicted to be a high-temperature superconductor at near-megabar conditions in 1968,[1] but only recently was been experimentally observed.[2] This is due to the extraneous metrological constraint of requiring 5 megabars of pressure to stabilize. A more practical approach for synthesis of high-temperature superconductors has been pro-posed through the use of hydride compounds. Recently, a surge of rare earth hydrides have achieved critical superconducting transition temperatures (T_C ) close to room temperature.[3, 4, 5, 6] However, due to limitations of the necessary instrumentation to achieve megabar pressures, many techniques traditionally used to measure stoichiometry are unavailable.Three works presented in …


New Features In Landyne 5 - A Software Suite For Materials Characterization And Crystallography By Transmission Electron Microscopy, Xing-Zhong Li Jan 2023

New Features In Landyne 5 - A Software Suite For Materials Characterization And Crystallography By Transmission Electron Microscopy, Xing-Zhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Landyne software suite (version 5) includes fifteen standalone computer programs for materials characterization and crystallography by transmission electron microscopy [1]. A launcher interface is provided for users to access all components conveniently. The purpose of this software suite is twofold: i) as research tools to analyze experimental results, ii) as teaching tools to explore the varieties of electron diffraction methods and crystallographic image processing principles.

The Landyne suite previously included: PTable, an interactive periodic table of elements; SVAT, a structural visual and analytical tool; SAED and PCED, simulation and analysis of electron diffraction (spot and ring) patterns; QSAED and QPCED, …


Structural, Electronic, And Magnetic Properties Of Cofevge-Based Compounds: Experiment And Theory, Parashu Kharel, Zachary Lehmann, Gavin Baker, Lukas Stuelke, Shah R. Valloppilly, Paul M. Shand, Pavel V. Lukashev Jan 2023

Structural, Electronic, And Magnetic Properties Of Cofevge-Based Compounds: Experiment And Theory, Parashu Kharel, Zachary Lehmann, Gavin Baker, Lukas Stuelke, Shah R. Valloppilly, Paul M. Shand, Pavel V. Lukashev

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have carried out a combined theoretical and experimental investigation of both stoichiometric and nonstoichiometric CoFeVGe alloys. In particular, we have investigated CoFeVGe, Co1.25Fe0.75VGe, Co0.75Fe1.25VGe, and CoFe0.75VGe bulk alloys. Our first principles calculations suggest that all four alloys show ferromagnetic order, where CoFeVGe, Co1.25Fe0.75VGe, and Co0.75Fe1.25VGe are highly spin polarized with spin polarization values of over 80%. However, the spin polarization value of CoFe0.75VGe is only about 60%. We have synthesized all four samples using arc melting and high-vacuum annealing …


Tem Studies Of A New Modulated Structure In Mn2Rusn Alloy And Intermetallic Phases In Fe3+XCo3–XTi2 (X = 0, 1, 2, 3) Alloys, Xing-Zhong Li, Shah R. Valloppilly Jan 2023

Tem Studies Of A New Modulated Structure In Mn2Rusn Alloy And Intermetallic Phases In Fe3+XCo3–XTi2 (X = 0, 1, 2, 3) Alloys, Xing-Zhong Li, Shah R. Valloppilly

Nebraska Center for Materials and Nanoscience: Faculty Publications

Heusler compounds are a remarkable class of intermetallic materials with wide-ranging and tunable properties. The Mn2RuSn Heusler compound was reported as an L21B-type cubic phase, a = 0.62195 nm, distinguishing from the original L21 structure (or L21A-type). The L21B-type structure is a disordered variant of the inverse Heusler structure, XA-type (Prototype-CuHg2Ti, space group No. 216, F4–3m).

In our recent work [1], we observed a new modulated structure derived from the XA-type structure and its orthogonal domains in the Mn2RuSn Heusler alloy. The structural characterization was carried out …


Entropy-Driven Structural Transition From Tetragonal To Cubic Phase: High Thermoelectric Performance Of Cucdinse3 Compound, Tingting Luo, Yihao Hu, Shi Liu, Fanjie Xia, Junhao Qiu, Haoyang Peng, Keke Liu, Quansheng Guo, Xingzhong Li, Dongwang Yang, Xianli Su, Jinsong Wu, Xinfeng Tang Jan 2023

Entropy-Driven Structural Transition From Tetragonal To Cubic Phase: High Thermoelectric Performance Of Cucdinse3 Compound, Tingting Luo, Yihao Hu, Shi Liu, Fanjie Xia, Junhao Qiu, Haoyang Peng, Keke Liu, Quansheng Guo, Xingzhong Li, Dongwang Yang, Xianli Su, Jinsong Wu, Xinfeng Tang

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cu based chalcopyrite is an important class of thermoelectric materials with excellent electronic properties, however, the thermal conductivity is relatively high due to the simple tetragonal structure with highly ordered configuration on cation sites, limiting the thermoelectric performance. Herein, we realize that the modulation of entropy via alloying CdSe achieves the structural transition from tetragonal structure with ordered configuration on cations sites in CuInSe2 compound to cubic CuCdInSe3. CuCdInSe3 crystallizes in a zinc blende (ZnS) structure where Cu, Cd and In cations randomly occupy the Zn site with the occupancy fraction 1/3. This entropy driven order-disorder …


An Interactive Simulation And Visualization Tool For Conventional And Aberration-Corrected Transmission Electron Microscopy, Xingzhong Li Nov 2022

An Interactive Simulation And Visualization Tool For Conventional And Aberration-Corrected Transmission Electron Microscopy, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Contrast transfer function (CTF) is a vital function in transmission electron microscopy (TEM). It expresses to what extent amplitudes converted from the phase changes of the diffracted waves contribute to the TEM image, including the effects of lens aberrations. Simulation is very helpful to understand the application of the function thoroughly. In this work, we develop the CTFscope as a component in the Landyne software suite, to calculate the CTF with temporal and spatial dumping envelopes for conventional TEM and to extend it to various aberrations (up to fifth order) for aberration-corrected (AC)- TEM. It also includes effects on the …


Ultra-High Carrier Mobilities In Ferroelectric Domain Wall Corbino Cones At Room Temperature, Conor J. Mccluskey, Matthew G. Colbear, James P.V. Mcconville, Shane J. Mccartan, Jesi R. Maguire, Michele Conroy, Kalani Moore, Alan Harvey, Felix Trier, Ursel Bangert, Alexei Gruverman, Manuel Bibes, Amit Kumar, Raymong G.P. Mcquaid, J. Marty Gregg Jun 2022

Ultra-High Carrier Mobilities In Ferroelectric Domain Wall Corbino Cones At Room Temperature, Conor J. Mccluskey, Matthew G. Colbear, James P.V. Mcconville, Shane J. Mccartan, Jesi R. Maguire, Michele Conroy, Kalani Moore, Alan Harvey, Felix Trier, Ursel Bangert, Alexei Gruverman, Manuel Bibes, Amit Kumar, Raymong G.P. Mcquaid, J. Marty Gregg

Alexei Gruverman Publications

Recently, electrically conducting heterointerfaces between dissimilar band-insulators (such as lanthanum aluminate and strontium titanate) have attracted considerable research interest. Charge transport has been thoroughly explored and fundamental aspects of conduction firmly established. Perhaps surprisingly, similar insights into conceptually much simpler conducting homointerfaces, such as the domain walls that separate regions of different orientations of electrical polarisation within the same ferroelectric band-insulator, are not nearly so well-developed. Addressing this disparity, we herein report magnetoresistance in approximately conical 180° charged domain walls, which occur in partially switched ferroelectric thin film single crystal lithium niobate. This system is ideal for such measurements: firstly, …


A Modulated Structure Derived From The Xa-Type Mn2Rusn Heusler Compound, Xingzhong Li, Wen-Yong Zhang, Ralph Skomski, David J. Sellmyer Jan 2022

A Modulated Structure Derived From The Xa-Type Mn2Rusn Heusler Compound, Xingzhong Li, Wen-Yong Zhang, Ralph Skomski, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

A modulated structure derived from the inverse Heusler phase (the XA-type and the disordered variant L21B-type) has been observed in rapidly quenched Mn2RuSn ribbons. The powder X-ray diffraction pattern of the quenched ribbons can be indexed as an L21B-type structure. Electron diffraction patterns of the new structure mostly resemble those of the XA-type (and the disordered variant L21B-type) structure and additional reflections with denser spacing indicate a long periodicity. Orthogonal domains of the modulated structure were revealed by a selected-area electron diffraction pattern and the corresponding dark-field transmission electron microscopy images. The structure was …


Localization Effects And Anomalous Hall Conductivity In A Disordered 3d Ferromagnet, Paul M. Shand, Y. Moua, G. Baker, Shah R. Valloppilly, Pavel V. Lukashev, Parashu Kharel Jan 2022

Localization Effects And Anomalous Hall Conductivity In A Disordered 3d Ferromagnet, Paul M. Shand, Y. Moua, G. Baker, Shah R. Valloppilly, Pavel V. Lukashev, Parashu Kharel

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have prepared the Heusler alloy CoFeV0.5Mn0.5Si in bulk form via arc melting. CoFeV0.5Mn0.5Si is ferromagnetic with a Curie temperature of 657 K. The longitudinal resistivity exhibits a minimum at 150 K, which is attributable to competition between quantum interference corrections at low temperatures and inelastic scattering at higher temperatures. The magnetoresistance (MR) is positive and nearly linear at low temperatures and becomes negative at temperatures close to room temperature. The positive MR in the quantum correction regime is evidence of the presence of the enhanced electron interaction as a contributor to …


Development And Characterization Of Germanium Detectors For Searching Rare-Event Physics, Rajendra Panth Jan 2022

Development And Characterization Of Germanium Detectors For Searching Rare-Event Physics, Rajendra Panth

Dissertations and Theses

High-purity germanium (HPGe) detector has an excellent energy resolution and low-energy detection threshold ideal for searching rare-event physics such as dark matter and neutrinoless double beta decay searches. Understanding the electrical contact properties and the Ge detector properties is key to enhancing the use of Ge detectors for a wide range of applications. Amorphous Ge (a-Ge) is one of the passivation materials used to passivate Ge detectors, which also provides the barrier height to the charge injection. Several a-Ge contact Ge detectors were fabricated and tested at the University of South Dakota (USD) and Max-Planck-Institut (MPI) für Physik in Munich …


What Happens When Transition Metal Trichalcogenides Are Interfaced With Gold?, Archit Dhingra, Dmitri E. Nikonov, Alexey Lipatov, Alexander Sinitskii, Peter Dowben Jan 2022

What Happens When Transition Metal Trichalcogenides Are Interfaced With Gold?, Archit Dhingra, Dmitri E. Nikonov, Alexey Lipatov, Alexander Sinitskii, Peter Dowben

Peter Dowben Publications

Transition metal trichalcogenides (TMTs) are two-dimensional (2D) systems with quasi-one-dimensional (quasi-1D) chains. These 2D materials are less susceptible to undesirable edge defects, which enhances their promise for low-dimensional optical and electronic device applications. However, so far, the performance of 2D devices based on TMTs has been hampered by contact-related issues. Therefore, in this review, a diligent effort has been made to both elucidate and summarize the interfacial interactions between gold and various TMTs, namely, In4Se3, TiS3, ZrS3, HfS3, and HfSe3. X-ray photoemission spectroscopy data, supported by the results …


Attempts To Measure Nanosecond Resolved Electronic Dynamics Of Charge Density Wave Phase Transition In 1t-Tas2, Ben Campbell Jan 2022

Attempts To Measure Nanosecond Resolved Electronic Dynamics Of Charge Density Wave Phase Transition In 1t-Tas2, Ben Campbell

Honors Theses and Capstones

Scanning tunneling microscopes allow for atomic spatial resolution but the resulting images are necessarily time-averaged and fast dynamics are lost. Pump-probe spectroscopy is a common optical technique used to measure ultrafast electronic dynamics but the integration of optical pump-probe spectroscopy into an STM requires specialized knowledge and equipment. Alternatively, an all-electronic pump-probe spectroscopy technique has recently been developed for use with an STM that replaces the laser pulses of optical pump-probe with voltage pulses. In this paper, I implemented an all-electronic pump-probe scheme into an existing scanning tunneling microscope using an arbitrary waveform generator and a lock-in amplifier. I developed …


Ab-Initio And Empirical Simulations Of Aluminum And Copper Metal, William Wolfs Dec 2021

Ab-Initio And Empirical Simulations Of Aluminum And Copper Metal, William Wolfs

UNLV Theses, Dissertations, Professional Papers, and Capstones

In this work, I perform detailed calculations on the bulk and electronic properties of aluminum and copper metal. Originally, I was motivated by experimental work on the solidsolid phase changes in pure aluminum. These phase changes were well predicted by density functional theory(DFT) but difficult or impossible to predict using embedded atom method potentials(EAM). EAM potentials are in wide use to describe many properties of bulk materials, and it seemed worrying that something so basic as a phase change could not be predicted. I began running high precision calculations with DFT and compared the results to EAM potentials which had …


Voltage Controlled Néel Vector Rotation In Zero Magnetic Field, Ather Mahmood, Will Echtenkamp, Mike Street, Jun Lei Wang, Shi Cao, Takashi Komesu, Peter Dowben, Pratyush Buragohain, Haidong Lu, Alexei Gruverman, Arun Parthasarathy, Shaloo Rakheja, Christian Binek Dec 2021

Voltage Controlled Néel Vector Rotation In Zero Magnetic Field, Ather Mahmood, Will Echtenkamp, Mike Street, Jun Lei Wang, Shi Cao, Takashi Komesu, Peter Dowben, Pratyush Buragohain, Haidong Lu, Alexei Gruverman, Arun Parthasarathy, Shaloo Rakheja, Christian Binek

Peter Dowben Publications

Multi-functional thin films of boron (B) doped Cr2O3 exhibit voltage-controlled and nonvolatile Néel vector reorientation in the absence of an applied magnetic field, H. Toggling of antiferromagnetic states is demonstrated in prototype device structures at CMOS compatible temperatures between 300 and 400 K. The boundary magnetization associated with the Néel vector orientation serves as state variable which is read via magnetoresistive detection in a Pt Hall bar adjacent to the B:Cr2O3 film. Switching of the Hall voltage between zero and non-zero values implies Néel vector rotation by 90 degrees. Combined magnetometry, spin resolved inverse …


Ferromagnetic Resonances In Single-Crystal Yttrium Iron Garnet Nanofilms Fabricated By Metal-Organic Decomposition, Szu Fan Wang, Kayetan Chorazewicz, Suvechhya Lamichhane, Ronald A. Parrott, Stefano Cabrini, Peter Fischer, Noah Kent, John H. Turner, Takayuki Ishibashi, Zachary Parker Frohock, Jacob J. Wisser, Peng Li, Ruthi Zielinski, Bryce Herrington, Yuri Suzuki, Mingzhong Wu, Keiko Munechika, Carlos Pina-Hernandez, Robert Streubel, Allen A. Sweet Oct 2021

Ferromagnetic Resonances In Single-Crystal Yttrium Iron Garnet Nanofilms Fabricated By Metal-Organic Decomposition, Szu Fan Wang, Kayetan Chorazewicz, Suvechhya Lamichhane, Ronald A. Parrott, Stefano Cabrini, Peter Fischer, Noah Kent, John H. Turner, Takayuki Ishibashi, Zachary Parker Frohock, Jacob J. Wisser, Peng Li, Ruthi Zielinski, Bryce Herrington, Yuri Suzuki, Mingzhong Wu, Keiko Munechika, Carlos Pina-Hernandez, Robert Streubel, Allen A. Sweet

Robert Streubel Papers

Tunable microwave and millimeter wave oscillators and bandpass filters with ultra-low phase noise play a critical role in electronic devices, including wireless communication, microelectronics, and quantum computing. Magnetic materials, such as yttrium iron garnet (YIG), possess ultra-low phase noise and a ferromagnetic resonance tunable up to tens of gigahertz. Here, we report structural and magnetic properties of single-crystal 60 and 130 nm-thick YIG films prepared by metal-organic decomposition epitaxy. These films, consisting of multiple homoepitaxially grown monolayers, are atomically flat and possess magnetic properties similar to those grown with liquid-phase epitaxy, pulsed laser deposition, and sputtering. Our approach does not …


Magnetic Field Perturbations To A Soft X-Ray-Activated Fe (Ii) Molecular Spin State Transition, Guanhua Hao, Alpha T. N’Diaye, Thilini K. Ekanayaka, Ashley S. Dale, Xuanyuan Jiang, Esha Mishra, Corbyn Mellinger, Saeed Yazdani, John W. Freeland, Jian Zhang, Ruihua Cheng, Xiaoshan Xu, Peter Dowben Oct 2021

Magnetic Field Perturbations To A Soft X-Ray-Activated Fe (Ii) Molecular Spin State Transition, Guanhua Hao, Alpha T. N’Diaye, Thilini K. Ekanayaka, Ashley S. Dale, Xuanyuan Jiang, Esha Mishra, Corbyn Mellinger, Saeed Yazdani, John W. Freeland, Jian Zhang, Ruihua Cheng, Xiaoshan Xu, Peter Dowben

Peter Dowben Publications

The X-ray-induced spin crossover transition of an Fe (II) molecular thin film in the presence and absence of a magnetic field has been investigated. The thermal activation energy barrier in the soft X-ray activation of the spin crossover transition for [Fe{H2B(pz)2 }2 (bipy)] molecular thin films is reduced in the presence of an applied magnetic field, as measured through X-ray absorption spectroscopy at various temperatures. The influence of a 1.8 T magnetic field is sufficient to cause deviations from the expected exponential spin state transition behavior which is measured in the field free case. We find …


Spontaneous Fluctuations In A Magnetic Fe/Gd Skyrmion Lattice, M. H. Seaberg, B. Holladay, S. A. Montoya, X. Y. Zheng, J. C.T. Lee, A. H. Reid, J. D. Koralek, L. Shen, V. Esposito, G. Coslovich, P. Walter, S. Zohar, V. Thampy, M. F. Lin, P. Hart, K. Nakahara, R. Streubel, S. D. Kevan, P. Fischer, W. Colocho, A. Lutman, F. J. Decker, E. E. Fullerton, M. Dunne, S. Roy, S. K. Sinha, J. J. Turner Sep 2021

Spontaneous Fluctuations In A Magnetic Fe/Gd Skyrmion Lattice, M. H. Seaberg, B. Holladay, S. A. Montoya, X. Y. Zheng, J. C.T. Lee, A. H. Reid, J. D. Koralek, L. Shen, V. Esposito, G. Coslovich, P. Walter, S. Zohar, V. Thampy, M. F. Lin, P. Hart, K. Nakahara, R. Streubel, S. D. Kevan, P. Fischer, W. Colocho, A. Lutman, F. J. Decker, E. E. Fullerton, M. Dunne, S. Roy, S. K. Sinha, J. J. Turner

Robert Streubel Papers

Magnetic skyrmions are topological spin textures that exhibit classical or quantum quasiparticle behavior. A substantial amount of research has occurred in this field, both because of their unique electromagnetic properties and potential application for future nonvolatile memory storage applications, as well as fundamental questions on their topology and unique magnetic phases. Here, we investigate the fluctuation properties of a magnetic Fe/Gd skyrmion lattice, using short-pulsed x rays. We first measure spontaneous fluctuations of the skyrmion lattice phase and find an inherent, collective mode showing an underdamped oscillation with a relaxation of a couple of nanoseconds. Further observations track the response …


Study Of Weakly Bound Cluster Anions Using Self Interaction Corrected Density Functional Scheme, Peter Obinna Ufondu Aug 2021

Study Of Weakly Bound Cluster Anions Using Self Interaction Corrected Density Functional Scheme, Peter Obinna Ufondu

Open Access Theses & Dissertations

The Kohn–Sham formulation of density functional theory (DFT) is a widely used quantum mechanical theory to study chemical and materials properties. The practical application of DFT requires an approximation to the exchange–correlation (XC) functional. These approximations suffer from self-interaction errors due to the incomplete cancellation of the self-Coulomb energy with the approximate self-exchange and correlation energy for one-electron densities. Systems with weakly-bound electrons impose great challenges to semi-local density functional approximations. We use recently developed local scaled self-interaction correction (LSIC) by Zope et al and the Perdew-Zunger SIC method using the Fermi-Löwdin orbitals to calculate the vertical detachment energies (VDEs) …


Corrigendum: Surface Termination And Schottky-Barrier Formation Of In4Se3(001) [Semiconductor Science And Technology (2020) 35 (065009) Doi: 10.1088/1361-6641/Ab7e45], Archit Dhingra, Pavlo V. Galiy, Lu Wang, Nataliia S. Vorobeva, Alexey Lipatov, Angel Torres, Taras M. Nenchuk, Simeon J. Gilbert, Alexander Sinitskii, Andrew J. Yost, Wai-Ning Mei, Keisuke Fukutani, Jia Shiang Chen, Peter Dowben Jun 2021

Corrigendum: Surface Termination And Schottky-Barrier Formation Of In4Se3(001) [Semiconductor Science And Technology (2020) 35 (065009) Doi: 10.1088/1361-6641/Ab7e45], Archit Dhingra, Pavlo V. Galiy, Lu Wang, Nataliia S. Vorobeva, Alexey Lipatov, Angel Torres, Taras M. Nenchuk, Simeon J. Gilbert, Alexander Sinitskii, Andrew J. Yost, Wai-Ning Mei, Keisuke Fukutani, Jia Shiang Chen, Peter Dowben

Peter Dowben Publications

Through the description of various surface terminations, the chain direction of In4Se3 in this paper [1] is implied to be in the plane of its surface. Even though the common convention for photoemission spectroscopy is to place z-axis along the surface normal, the axis perpendicular to the growth direction for this indium selenide is the crystallographic a-axis (and not the c-axis) [2–4]. Therefore, in our work the surface of In4Se3 should have been labeled (100), and not (001), to prevent any confusion that may have resulted from a less than conventional index notation. Data availability statement The data that support …


Colossal Intrinsic Exchange Bias From Interfacial Reconstruction In Epitaxial Cofe2 O4/Al2 O3 Thin Films, Detian Yang, Yu Yun, Arjun Subedi, Nicholas E. Rogers, David M. Cornelison, Peter Dowben, Xiaoshan Xu Jun 2021

Colossal Intrinsic Exchange Bias From Interfacial Reconstruction In Epitaxial Cofe2 O4/Al2 O3 Thin Films, Detian Yang, Yu Yun, Arjun Subedi, Nicholas E. Rogers, David M. Cornelison, Peter Dowben, Xiaoshan Xu

Peter Dowben Publications

We have studied the epitaxial CoFe2O4 (111) films grown on Al2O3 (0001) substrates of different thickness at various temperature and discovered colossal intrinsic exchange bias up to 7 ± 2 kOe. X-ray and electron diffraction clearly indicate an interfacial layer about 2 nm of different crystal structure from the “bulk” part of the CoFe2O4 film. The thickness dependence of the exchange bias suggests a hidden antiferromagnetic composition in the interfacial layer that couples to the ferrimagnetic “bulk” part of the CoFe2O4 film as the origin of the exchange …


Magnetism And Topological Hall Effect In Antiferromagnetic Ru2Mnsn-Based Heusler Compounds, Wenyong Zhang, Balamurugan Balasubramanian, Yang Sun, Ahsan Ullah, Ralph Skomski, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Cai-Zhuang Wang, Kai-Ming Ho, David J. Sellmyer May 2021

Magnetism And Topological Hall Effect In Antiferromagnetic Ru2Mnsn-Based Heusler Compounds, Wenyong Zhang, Balamurugan Balasubramanian, Yang Sun, Ahsan Ullah, Ralph Skomski, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Cai-Zhuang Wang, Kai-Ming Ho, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Heusler compounds and alloys based on them are of great recent interest because they exhibit a wide variety of spin structures, magnetic properties, and electron-transport phenomena. Their properties are tunable by alloying and we have investigated L21-ordered compound Ru2MnSn and its alloys by varying the atomic Mn:Sn composition. While antiferromagnetic ordering with a Néel temperature of 361 K was observed in Ru2MnSn, the Mn-poor Ru2Mn0.8Sn1.2 alloy exhibits properties of a diluted antiferromagnet in which there are localized regions of uncompensated Mn spins. Furthermore, a noncoplanar spin structure, evident from …


Correction To "Quantitative Study Of The Energy Changes In Voltage-Controlled Spin Crossover Molecular Thin Films" [The Journal Of Physical Chemistry Letters (2020) 11:19 (8231-8237) Doi: 10.1021/Acs.Jpclett.0c02209], Aaron Mosey, Ashley S. Dale, Guanhua Hao, Alpha N'Diaye, Peter Dowben, Ruihua Cheng Mar 2021

Correction To "Quantitative Study Of The Energy Changes In Voltage-Controlled Spin Crossover Molecular Thin Films" [The Journal Of Physical Chemistry Letters (2020) 11:19 (8231-8237) Doi: 10.1021/Acs.Jpclett.0c02209], Aaron Mosey, Ashley S. Dale, Guanhua Hao, Alpha N'Diaye, Peter Dowben, Ruihua Cheng

Peter Dowben Publications

In our recent publication, Figure 5 was published without adequate due diligence. The correct TOC Abstract graphic and Figure 5 are contained here in this correction. The correct on to off current ratios are in the range of 4 to 5, not 100 and the signal to noise ratios are far less than previously shown.


Nonvolatile Voltage Controlled Molecular Spin‐State Switching For Memory Applications, Thilini K. Ekanayaka, Guanhua Hao, Aaron Mosey, Ashley S. Dale, Xuanyuan Jiang, Andrew J. Yost, Keshab R. Sapkota, George T. Wang, Jian Zhang, Alpha T. N’Diaye, Andrew Marshall, Ruihua Cheng, Azad Naeemi, Xiaoshan Xu, Peter Dowben Mar 2021

Nonvolatile Voltage Controlled Molecular Spin‐State Switching For Memory Applications, Thilini K. Ekanayaka, Guanhua Hao, Aaron Mosey, Ashley S. Dale, Xuanyuan Jiang, Andrew J. Yost, Keshab R. Sapkota, George T. Wang, Jian Zhang, Alpha T. N’Diaye, Andrew Marshall, Ruihua Cheng, Azad Naeemi, Xiaoshan Xu, Peter Dowben

Peter Dowben Publications

Nonvolatile, molecular multiferroic devices have now been demonstrated, but it is worth giving some consideration to the issue of whether such devices could be a competitive alternative for solid-state nonvolatile memory. For the Fe (II) spin crossover complex [Fe{H2B(pz)2}2(bipy)], where pz = tris(pyrazol-1-yl)-borohydride and bipy = 2,20-bipyridine, voltage-controlled isothermal changes in the electronic structure and spin state have been demonstrated and are accompanied by changes in conductance. Higher conductance is seen with [Fe{H2B(pz)2}2(bipy)] in the high spin state, while lower conductance occurs for the low spin state. Plausibly, …


Superfluid Swimmers, German Kolmakov, Igor S. Aranson Feb 2021

Superfluid Swimmers, German Kolmakov, Igor S. Aranson

Publications and Research

The propulsion of living microorganisms ultimately relies on viscous drag for body-fluid interactions. The self-locomotion in superfluids such as 4He is deemed impossible due to the apparent lack of viscous resistance. Here, we investigate the self-propulsion of a Janus (two-face) light-absorbing particle suspended in superfluid helium 4He (He-II). The particle is energized by the heat flux due to the absorption of light from an external source. We show that a quantum mechanical propulsion force originates due to the transformation of the superfluid to a normal fluid on the heated particle face. The theoretical analysis is supported by the …


Remote Mesoscopic Signatures Of Induced Magnetic Texture In Graphene, N. Arabchigavkani, R. Somphonsane, H. Ramamoorthy, G. He, J. Nathawat, S. Yin, B. Barut, K. He, M. D. Randle, R. Dixit, K. Sakanashi, N. Aoki, K. Zhang, L. Wang, W. N. Mei, Peter Dowben, J. Fransson, J. P. Bird Feb 2021

Remote Mesoscopic Signatures Of Induced Magnetic Texture In Graphene, N. Arabchigavkani, R. Somphonsane, H. Ramamoorthy, G. He, J. Nathawat, S. Yin, B. Barut, K. He, M. D. Randle, R. Dixit, K. Sakanashi, N. Aoki, K. Zhang, L. Wang, W. N. Mei, Peter Dowben, J. Fransson, J. P. Bird

Peter Dowben Publications

Mesoscopic conductance fluctuations are a ubiquitous signature of phase-coherent transport in small conductors, exhibiting universal character independent of system details. In this Letter, however, we demonstrate a pronounced breakdown of this universality, due to the interplay of local and remote phenomena in transport. Our experiments are performed in a graphene-based interaction-detection geometry, in which an artificial magnetic texture is induced in the graphene layer by covering a portion of it with a micromagnet. When probing conduction at some distance from this region, the strong influence of remote factors is manifested through the appearance of giant conductance fluctuations, with amplitude much …