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Full-Text Articles in Physics

Non-Fermi-Liquid Types Of Behavior Associated With A Magnetic Quantum Critical Point In Sr(Co1-Xnix)(2)As-2 Single Crystals, Nediadath S. Sangeetha, Lin-Lin Wang, Andrei V. Smirnov, Volodymyr Smetana, A. V. Mudring, Duane D. Johnson, Makariy A. Tanatar, Ruslan Prozorov, David C. Johnston Sep 2019

Non-Fermi-Liquid Types Of Behavior Associated With A Magnetic Quantum Critical Point In Sr(Co1-Xnix)(2)As-2 Single Crystals, Nediadath S. Sangeetha, Lin-Lin Wang, Andrei V. Smirnov, Volodymyr Smetana, A. V. Mudring, Duane D. Johnson, Makariy A. Tanatar, Ruslan Prozorov, David C. Johnston

Materials Science and Engineering Publications

The compound SrCo2As2 with the body-centered tetragonal ThCr2Si2 structure is known to remain paramagnetic down to a temperature T=0.05 K, but inelastic neutron scattering studies have shown that both ferromagnetic (FM) and antiferromagnetic (AFM) fluctuations occur in single crystals. Thus it is of interest to study how the magnetism evolves on doping SrCo2As2. Previous work on polycrystalline samples of Sr(Co1−xNix)2As2 indicated the development of AFM order for 0Ab initioelectronic-structure calculations for x=0 and 0.15 indicate that a flat band with a peak in the density of states just above the Fermi energy is ...


Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi Aug 2019

Fatigue-Resistant High-Performance Elastocaloric Materials Via Additive Manufacturing, Huilong Hou, Emrah Simsek, Tao Ma, Nathan S. Johnson, Suxin Qian, Cheikh Cissé, Drew Stasak, Naila Al Hasan, Lin Zhou, Yunho Hwang, Reinhard Radermacher, Valery I. Levitas, Matthew J. Kramer, Mohsen Asle Zaeem, Aaron P. Stebner, Ryan T. Ott, Jun Cui, Ichiro Takeuchi

Aerospace Engineering Publications

Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged as a frontrunner in non-vapor-compression cooling technologies. The intrinsically high thermodynamic efficiency of elastocaloric materials is limited only by work hysteresis. Here, we report on creating high-performance low-hysteresis elastocaloric cooling materials via additive manufacturing of Titanium-Nickel (Ti-Ni) alloys. Contrary to established knowledge of the physical metallurgy of Ti-Ni alloys, intermetallic phases are found to be beneficial to elastocaloric performances when they are combined with the binary Ti-Ni compound in nanocomposite configurations. The resulting microstructure gives rise ...


Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney Aug 2019

Competing Magnetic Phases And Itinerant Magnetic Frustration In Srco2 As2, Bing Li, Benjamin G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, David C. Johnston, Qing-Ping Ding, Yuji Furukawa, Peter P. Orth, Andreas Kreyssig, Alan I. Goldman, Robert J. Mcqueeney

Ames Laboratory Accepted Manuscripts

Whereas magnetic frustration is typically associated with local-moment magnets in special geometric arrangements, here we show that SrCo2As2 is a candidate for frustrated itinerant magnetism. Using inelastic neutron scattering (INS), we find that antiferromagnetic (AF) spin fluctuations develop in the square Co layers of SrCo2As2 below T approximate to 100 K centered at the stripe-type AF propagation vector of (1/2, 1/2), and that their development is concomitant with a suppression of the uniform magnetic susceptibility determined via magnetization measurements. We interpret this switch in spectral weight as signaling a temperature-induced crossover from an instability toward ferromagnetism ordering to ...


Interplay Between Superconductivity And Itinerant Magnetism In Underdoped Ba1−Xkxfe2as2 (X = 0.2) Probed By The Response To Controlled Point-Like Disorder, Ruslan Prozorov, Marcin Kończykowski, Makariy A. Tanatar, Hai-Hu Wen, Rafael M. Fernandes, Paul C. Canfield Jul 2019

Interplay Between Superconductivity And Itinerant Magnetism In Underdoped Ba1−Xkxfe2as2 (X = 0.2) Probed By The Response To Controlled Point-Like Disorder, Ruslan Prozorov, Marcin Kończykowski, Makariy A. Tanatar, Hai-Hu Wen, Rafael M. Fernandes, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

The response of superconductors to controlled introduction of point-like disorder is an important tool to probe their microscopic electronic collective behavior. In the case of iron-based superconductors, magnetic fluctuations presumably play an important role in inducing high-temperature superconductivity. In some cases, these two seemingly incompatible orders coexist microscopically. Therefore, understanding how this unique coexistence state is affected by disorder can provide important information about the microscopic mechanisms involved. In one of the most studied pnictide family, hole-doped Ba1−xKxFe2As2 (BaK122), this coexistence occurs over a wide range of doping levels, 0.16 ≲ x ≲ 0.25. We used ...


Single Pair Of Weyl Fermions In The Half-Metallic Semimetal Eucd2as2, Lin-Lin Wang, Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Robert J. Mcqueeney, Adam Kaminski, Paul C. Canfield Jun 2019

Single Pair Of Weyl Fermions In The Half-Metallic Semimetal Eucd2as2, Lin-Lin Wang, Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Robert J. Mcqueeney, Adam Kaminski, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

Materials with the ideal case of a single pair of Weyl points (WPs) are highly desirable for elucidating the unique properties of Weyl fermions. EuC d 2 A s 2 is an antiferromagnetic topological insulator or Dirac semimetal depending on the different magnetic configurations. Using first-principles band-structure calculations, we show that inducing ferromagnetism in EuC d 2 A s 2 can generate a single pair of WPs from splitting the single pair of antiferromagnetic Dirac points due to its half-metallic nature. Analysis with a low-energy effective Hamiltonian shows that a single pair of WPs is obtained in EuC d 2 ...


Interaction Dynamics Between Ferroelectric And Antiferroelectric Domains In A Pbzro3-Based Ceramic, Zhongming Fan, Fei Xue, Goknur Tutuncu, Long-Qing Chen, Xiaoli Tan Jun 2019

Interaction Dynamics Between Ferroelectric And Antiferroelectric Domains In A Pbzro3-Based Ceramic, Zhongming Fan, Fei Xue, Goknur Tutuncu, Long-Qing Chen, Xiaoli Tan

Materials Science and Engineering Publications

The antiferroelectric-ferroelectric phase transition in PbZrO3-based oxides is of both fundamental and practical importance. In ceramics in which such a transition readily occurs, the antiferroelectric and the ferroelectric phases often coexist in individual grains with a coherent interphase interface. In this work, the electric biasing in situ transmission electron microscopy technique is employed to directly observe a unique microstructural dynamic when ferroelectric and antiferroelectric domains are driven by a moderate electric field to interact. It is found that, under monotonic loading, the ferroelectric domain grows until it is blocked by the ferroelectric-antiferroelectric interface. At the same time, a kink is ...


Ultrahigh Elastically Compressible And Strain-Engineerable Intermetallic Compounds Under Uniaxial Mechanical Loading, Gyuho Song, Vladislav Borisov, William Meier, Mingyu Xu, Keith J. Dusoe, John T. Sypek, Roser Valentí, Paul C. Canfield, Seok-Woo Lee Jun 2019

Ultrahigh Elastically Compressible And Strain-Engineerable Intermetallic Compounds Under Uniaxial Mechanical Loading, Gyuho Song, Vladislav Borisov, William Meier, Mingyu Xu, Keith J. Dusoe, John T. Sypek, Roser Valentí, Paul C. Canfield, Seok-Woo Lee

Ames Laboratory Accepted Manuscripts

Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use. Therefore, it is critical for them to exhibit either plasticity or some form of structural transition to absorb and release a sufficient amount of mechanical energy before failure occurs. This study reports that the ThCr2Si2-structured intermetallic compound (CaFe2As2) and a hybrid of its structure (CaKFe4As4) with 2 µm in diameter and 6 µm in height can exhibit superelasticity with strain up to 17% through a reversible, deformation-induced ...


Crystal Growth And Magnetic Structure Of Mnbi2 Te 4, J.-Q. Yan, Q. Zhang, T. Heitmann, Zengle Huang, K. Y. Chen, J.-G. Cheng, Weida Wu, David Vaknin, B. C. Sales, Robert J. Mcqueeney Jun 2019

Crystal Growth And Magnetic Structure Of Mnbi2 Te 4, J.-Q. Yan, Q. Zhang, T. Heitmann, Zengle Huang, K. Y. Chen, J.-G. Cheng, Weida Wu, David Vaknin, B. C. Sales, Robert J. Mcqueeney

Ames Laboratory Accepted Manuscripts

Millimeter-sized MnBi2Te4 single crystals are grown out of a Bi-Te flux and characterized using magnetic, transport, scanning tunneling microscopy, and spectroscopy measurements. The magnetic structure of MnBi2Te4 below TN is determined by powder and single-crystal neutron diffraction measurements. Below TN = 24 K, Mn2+ moments order ferromagnetically in the ab plane but antiferromagnetically along the crystallographic c axis. The ordered moment is 4.04(13)μB/Mn at 10 K and aligned along the crystallographic c axis in an A-type antiferromagnetic order. Below TN, the electrical resistivity drops upon cooling or when going across the metamagnetic transition in increasing magnetic fields ...


Thermodynamic Stabilities Of Perfect And Vacancy-Defected Li2 Tio3 (001) Surfaces From First-Principles Analyses, Yan Jiang, Yanli Shi, Xiaogang Xiang, Jianqi Qi, Yong Han, Zhijun Liao, Tiecheng Lu May 2019

Thermodynamic Stabilities Of Perfect And Vacancy-Defected Li2 Tio3 (001) Surfaces From First-Principles Analyses, Yan Jiang, Yanli Shi, Xiaogang Xiang, Jianqi Qi, Yong Han, Zhijun Liao, Tiecheng Lu

Ames Laboratory Accepted Manuscripts

Lithium titanate (Li2TiO3) is an attractive ceramic material for various industrial applications, particularly as one of the most promising breeder blanket materials in future nuclear-fusion reactors. Previously reported studies mainly focus on sintered polycrystalline samples of Li2TiO3. Surface structure of the single-crystal form is rarely reported, although the information of surface structures and stabilities can be critical for further understanding the surface-associated processes. In this work, we perform extensive first-principles density-functional-theory (DFT) calculations to obtain the surface energies of Li2TiO3 (001) with different surface terminations. For four perfect (defect-free) Li-, O-, or LiTi-terminated (001) surfaces, Li- or O-terminated (001) surfaces ...


Observation Of Η-Al41sm5 Reveals Motif-Aware Structural Evolution In Al-Sm Alloys, Zhuo Ye, F. Meng, Feng Zhang, Yang Sun, L. Yang, S. H. Zhou, Ralph E. Napolitano, Mikhail I. Mendelev, Ryan T. Ott, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho Apr 2019

Observation Of Η-Al41sm5 Reveals Motif-Aware Structural Evolution In Al-Sm Alloys, Zhuo Ye, F. Meng, Feng Zhang, Yang Sun, L. Yang, S. H. Zhou, Ralph E. Napolitano, Mikhail I. Mendelev, Ryan T. Ott, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho

Materials Science and Engineering Publications

Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon heating an amorphous Al-9.7 at.% Sm ribbon, produced by melt-spinning. The dynamical phase selection is discussed with respect to the structural connections between the short-range packing motifs in the amorphous precursor and those observed in the selected phases. The phase elucidated here is one of several newly discovered large-unit-cell phases found to form during devitrification from the glass in this binary system, further illustrating the power and efficiency of our approach, the important ...


Intelligent Metasurfaces With Continuously Tunable Local Surface Impedance For Multiple Reconfigurable Functions, Fu Liu, Odysseas Tsilipakos, Alexandros Pitilakis, Anna C. Tasolamprou, Mohammad Sajjad Mirmoosa, Nikolaos V. Kantartzis, Do-Hoon Kwon, Maria Kafesaki, Costas M. Soukoulis, Sergei A. Tretyakov Apr 2019

Intelligent Metasurfaces With Continuously Tunable Local Surface Impedance For Multiple Reconfigurable Functions, Fu Liu, Odysseas Tsilipakos, Alexandros Pitilakis, Anna C. Tasolamprou, Mohammad Sajjad Mirmoosa, Nikolaos V. Kantartzis, Do-Hoon Kwon, Maria Kafesaki, Costas M. Soukoulis, Sergei A. Tretyakov

Ames Laboratory Accepted Manuscripts

Electromagnetic metasurfaces can be characterized as intelligent if they are able to perform multiple tunable functions, with the desired response being controlled by a computer influencing the individual electromagnetic properties of each metasurface inclusion. In this paper, we present an example of an intelligent metasurface that operates in the reflection mode in the microwave frequency range. We numerically show that, without changing the main body of the metasurface, we can achieve tunable perfect absorption and tunable anomalous reflection. The tunability features can be implemented using mixed-signal integrated circuits (ICs), which can independently vary both the resistance and reactance, offering complete ...


Equation Of State Of Boron Nitride Combining Computation, Modeling, And Experiment, Shuai Zhang, Amy Lazicki, Burkhard Militzer, Lin H. Yang, Kyle Caspersen, Jim A. Gaffney, Markus W. Däne, John E. Pask, Walter R. Johnson, Abhiraj Sharma, Phanish Suryanarayana, Duane D. Johnson, Andrey V. Smirnov, Philip A. Sterne, David Erskine, Richard A. London, Federica Coppari, Damian Swift, Joseph Nilsen, Art J. Nelson, Heather D. Whitley Apr 2019

Equation Of State Of Boron Nitride Combining Computation, Modeling, And Experiment, Shuai Zhang, Amy Lazicki, Burkhard Militzer, Lin H. Yang, Kyle Caspersen, Jim A. Gaffney, Markus W. Däne, John E. Pask, Walter R. Johnson, Abhiraj Sharma, Phanish Suryanarayana, Duane D. Johnson, Andrey V. Smirnov, Philip A. Sterne, David Erskine, Richard A. London, Federica Coppari, Damian Swift, Joseph Nilsen, Art J. Nelson, Heather D. Whitley

Ames Laboratory Accepted Manuscripts

The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and experimental investigation leveraging new theoretical and experimental capabilities to investigate warm-dense boron nitride (BN). The simulation methodologies include path integral Monte Carlo (PIMC), several density functional theory (DFT) molecular dynamics methods [plane-wave pseudopotential, Fermi operator expansion (FOE), and spectral quadrature (SQ)], activity expansion (actex), and all-electron Green's function Korringa-Kohn-Rostoker (mecca), and compute the pressure and internal energy of BN over a broad range of densities and temperatures. Our experiments were conducted at the ...


Energetics Of Cu Adsorption And Intercalation At Graphite Step Edges, Yong Han, Ann Lii-Rosales, Michael C. Tringides, James W. Evans, Patricia A. Thiel Mar 2019

Energetics Of Cu Adsorption And Intercalation At Graphite Step Edges, Yong Han, Ann Lii-Rosales, Michael C. Tringides, James W. Evans, Patricia A. Thiel

Chemistry Publications

To assess the energetics of Cu intercalation on defective graphite, the chemical potentials and binding energies for Cu at graphite step edges are calculated for three main configurations: an isolated atom, a chain, and an atom attached to a chain. As expected, for Cu interacting directly with a graphite step edge, the strength of interaction depends on the stability of the step, with Cu binding more strongly at a less-stable step. However, the relationship is reversed when considering binding of a Cu atom attached to a chain. Taken together, these trends mean that if the graphite step is less stable ...


Connection Between Mott Physics And Crystal Structure In A Series Of Transition Metal Binary Compounds, Nicola Lanatà, Tsung-Han Lee, Yong-Xin Yao, Vladan Stevanović, Vladimir Dobrosavljević Mar 2019

Connection Between Mott Physics And Crystal Structure In A Series Of Transition Metal Binary Compounds, Nicola Lanatà, Tsung-Han Lee, Yong-Xin Yao, Vladan Stevanović, Vladimir Dobrosavljević

Ames Laboratory Accepted Manuscripts

The choice that a solid system “makes” when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds. Here we analyze six prototypical binary transition metal compounds and shed light on the connection between Mott physics and the behavior of the energy as a function of the spatial arrangement of the atoms in these systems. Remarkably, we find that the main qualitative features of this complex behavior in the Mott phase of these systems can be traced back to the fact that the strong d-electron correlations influence substantially the charge transfer ...


From Tb3ni2 To Tb3coni: The Interplay Between Chemistry, Structure, And Magnetism, Clemens Ritter, Alessia Provino, Francois Fauth, Sudesh K. Dhar, Vitalij K. Pecharsky, Pietro Manfrinetti Feb 2019

From Tb3ni2 To Tb3coni: The Interplay Between Chemistry, Structure, And Magnetism, Clemens Ritter, Alessia Provino, Francois Fauth, Sudesh K. Dhar, Vitalij K. Pecharsky, Pietro Manfrinetti

Ames Laboratory Accepted Manuscripts

Formation, crystal structure, and macroscopic and microscopic magnetism of the binary Tb3Ni2 and derivative pseudobinary Tb3CoxNi2−x phases have been investigated using an array of experimental methods. While Tb3Ni2 crystallizes in the monoclinic Dy3Ni2 structure type (mS20, C2/m), the substitution of Co for Ni results in a structural transition into the rhombohedral Er3Ni2 type (hR45, R¯3h) at x(Co)≈0.34 and beyond in the Tb3CoxNi2−x system. In both the monoclinic and rhombohedral phases, the addition of Co leads to an anisotropic change of lattice parameters and unexpected reduction of the cell volume. Measurements of bulk properties ...


Revealing The Nature Of Antiferroquadrupolar Ordering In Cerium Hexaboride: Ceb6, C. K. Barman, Prashant Singh, Duane Johnson, Aftab Alam Feb 2019

Revealing The Nature Of Antiferroquadrupolar Ordering In Cerium Hexaboride: Ceb6, C. K. Barman, Prashant Singh, Duane Johnson, Aftab Alam

Ames Laboratory Accepted Manuscripts

The cerium hexaboride (CeB6) f-electron compound displays a rich array of low-temperature magnetic phenomena, including a “magnetically hidden” order, identified as multipolar in origin via advanced x-ray scattering. From first-principles electronic-structure results, we find that the antiferroquadrupolar(AFQ) ordering in CeB6 arises from crystal-field splitting and yields a band structure in agreement with experiments. With interactions of p electrons between Ce and B6 being small, the electronic state of CeB6 is suitably described as Ce(4f1)3+(e−)(B6)2−. The AFQ state of orbital spins is caused by an exchange interaction induced through spin-orbit interaction, which also splits the ...


Effects Of Dopants On The Glass Forming Ability In Al-Based Metallic Alloy, Yang Sun, Feng Zhang, Lin Yang, Huajing Song, Mikhail I. Mendelev, Cai-Zhuang Wang, Kai-Ming Ho Feb 2019

Effects Of Dopants On The Glass Forming Ability In Al-Based Metallic Alloy, Yang Sun, Feng Zhang, Lin Yang, Huajing Song, Mikhail I. Mendelev, Cai-Zhuang Wang, Kai-Ming Ho

Ames Laboratory Accepted Manuscripts

The effect of dopants on the metallic glass forming ability is usually considered based on the analysis of changes in the liquid structure or thermodynamics. What is missing in such considerations is an analysis of how a dopant changes the properties of the crystal phases which can form instead of the glass. In order to illuminate this aspect we performed molecular dynamics simulations to study the effects of Mg and Sm dopants on the crystal nucleation in Al. The simulation data were found to be consistent with the experimental observations that addition of Mg to Al does not lead to ...


Mechanisms Of Enhanced Thermal Stability Of Polarization In Lead-Free (Bi 1/2na 1/2) 0.94ba 0.06tio 3/Zno Ceramic Composites, Zhongming Fan, Lin Zhou, Tae-Hoon Kim, Ji Zhang, Shan-Tao Zhang, Xiaoli Tan Feb 2019

Mechanisms Of Enhanced Thermal Stability Of Polarization In Lead-Free (Bi 1/2na 1/2) 0.94ba 0.06tio 3/Zno Ceramic Composites, Zhongming Fan, Lin Zhou, Tae-Hoon Kim, Ji Zhang, Shan-Tao Zhang, Xiaoli Tan

Ames Laboratory Accepted Manuscripts

(Bi 1/2Na 1/2)TiO 3-based solid solutions, one of the major systems of lead-free piezoelectric ceramics, exhibit a low thermal depolarization temperature ( T d~100°C). It was reported that by incorporating 30 mol% ZnO particles to form a ceramic composite of (Bi 1/2Na 1/2) 0.94Ba 0.06TiO 3/ZnO, the depolarization process can be shifted up to ~250 °C. In the present work, a variety of advanced transmission electron microscopy techniques, including in situ heating, annular bright-field, high-angle annular dark-field, geometric phase analysis, energy-dispersive spectrum and electron energy-loss spectroscopy, are employed to investigate the ...


Single-Crystal Permanent Magnets: Extraordinary Magnetic Behavior In The Ta-,Cu-, And Fe-Substituted Ceco 5 Systems, Tej N. Lamichhane, Michael T. Onyszczak, Olena Palasyuk, Saba Sharikadze, Tae-Hoon Kim, Qisheng Lin, Matthew J. Kramer, R. W. Mccallum, Aleksander L. Wysocki, Manh Cuong Nguyen, Vladimir P. Antropov, Tribhuwan Pandey, David Parker, Sergey L. Bud’Ko, Paul C. Canfield, Andriy Palasyuk Jan 2019

Single-Crystal Permanent Magnets: Extraordinary Magnetic Behavior In The Ta-,Cu-, And Fe-Substituted Ceco 5 Systems, Tej N. Lamichhane, Michael T. Onyszczak, Olena Palasyuk, Saba Sharikadze, Tae-Hoon Kim, Qisheng Lin, Matthew J. Kramer, R. W. Mccallum, Aleksander L. Wysocki, Manh Cuong Nguyen, Vladimir P. Antropov, Tribhuwan Pandey, David Parker, Sergey L. Bud’Ko, Paul C. Canfield, Andriy Palasyuk

Ames Laboratory Accepted Manuscripts

To reduce material and processing costs of commercial permanent magnets and to attempt to fill the empty niche of energy products, 10–20 MGOe, between low-flux (ferrites, alnico) and high-flux (Nd2Fe14B- and SmCo5-type) magnets, we report the synthesis, structure, magnetic properties, and modeling of Ta-, Cu-, and Fe-substituted CeCo5. Using a self-flux technique, we grow single crystals of Ce15.1Ta1.0Co74.4Cu9.5, Ce16.3Ta0.6Co68.9Cu14.2, Ce15.7Ta0.6Co67.8Cu15.9, Ce16.3Ta0.3Co61.7Cu21.7, and Ce14.3Ta1.0Co62.0Fe12.3Cu10.4. X-ray-diffraction analysis shows that these materials retain a CaCu5 substructure and incorporate small amounts of ...


Nonlinearity In The Dark: Broadband Terahertz Generation With Extremely High Efficiency, Ming Fang, Nian-Hai Shen, Wei E. I. Sha, Zhixiang Huang, Thomas Koschny, Costas M. Soukoulis Jan 2019

Nonlinearity In The Dark: Broadband Terahertz Generation With Extremely High Efficiency, Ming Fang, Nian-Hai Shen, Wei E. I. Sha, Zhixiang Huang, Thomas Koschny, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

Plasmonic metamaterials and metasurfaces offer new opportunities in developing high performance terahertz emitters and detectors beyond the limitations of conventional nonlinear materials. However, simple meta-atoms for second-order nonlinear applications encounter fundamental trade-offs in the necessary symmetry breaking and local-field enhancement due to radiation damping that is inherent to the operating resonant mode and cannot be controlled separately. Here we present a novel concept that eliminates this restriction obstructing the improvement of terahertz generation efficiency in nonlinear metasurfaces based on metallic nanoresonators. This is achieved by combining a resonant dark-state metasurface, which locally drives nonlinear nanoresonators in the near field, with ...


On Loss Compensation, Amplification And Lasing In Metallic Metamaterials, Sotiris Droulias, Thomas Koschny, Maria Kafesaki, Costas M. Soukoulis Jan 2019

On Loss Compensation, Amplification And Lasing In Metallic Metamaterials, Sotiris Droulias, Thomas Koschny, Maria Kafesaki, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

The design of metamaterials, which are artificial materials that can offer unique electromagnetic properties, is based on the excitation of strong resonant modes. Unfortunately, material absorption—mainly due to their metallic parts—can damp their resonances and hinder their operation. Incorporating a gain material can balance these losses, but this must be performed properly, as a reduced or even eliminated absorption does not guarantee loss compensation. Here we examine the possible regimes of interaction of a gain material with a passive metamaterial and show that background amplification and loss compensation are two extreme opposites, both of which can lead to ...


Uncompensated Polarization In Incommensurate Modulations Of Perovskite Antiferroelectrics, Tao Ma, Zhongming Fan, Bin Xu, Tae-Hoon Kim, Ping Lu, Laurent Bellaiche, Matthew J. Kramer, Xiaoli Tan, Lin Zhou Jan 2019

Uncompensated Polarization In Incommensurate Modulations Of Perovskite Antiferroelectrics, Tao Ma, Zhongming Fan, Bin Xu, Tae-Hoon Kim, Ping Lu, Laurent Bellaiche, Matthew J. Kramer, Xiaoli Tan, Lin Zhou

Materials Science and Engineering Publications

Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO3 perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully-compensated antiparallel fashion, are found to be either antiparallel but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO3-based perovskite antiferroelectrics.


First-Principles Concentration-Wave Approach To Predict Incipient Order In High-Entropy Alloys: Case Of Ti0.25 Crfenialx, Prashant Singh, Andrei V. Smirnov, Aftab Alam, Duane D. Johnson Jan 2019

First-Principles Concentration-Wave Approach To Predict Incipient Order In High-Entropy Alloys: Case Of Ti0.25 Crfenialx, Prashant Singh, Andrei V. Smirnov, Aftab Alam, Duane D. Johnson

Materials Science and Engineering Publications

High-temperature disordered multi-component alloys, including high-entropy alloys, experience either segregation or partially-ordered phases to reach low-temperature phases. For Ti0.25CrFeNiAlx (0≤x≤1), experiments suggest a partially-ordered B2 phase, whereas CALculation of PHAse Diagrams (CALPHAD) predicts a region of L21+B2 coexistence. We employ first-principles KKR-CPA to assess stability of phases with arbitrary order and a KKR-CPA linear-response theory to predict atomic short-range order (SRO) in the disorder phase that reveals the competing long-range ordered (LRO) phases in a given Bravais lattice. The favorable SRO provides a specific concentration-waves (site occupation probabilities and partially-ordered unit cells) and estimated energy gains ...


Imaging Stress And Magnetism At High Pressures Using A Nanoscale Quantum Sensor, S. Hsieh, P. Bhattacharyya, C. Zu, T. Mittiga, T. J. Smart, F. Machado, B. Kobrin, T. O. Hohn, N. Z. Rui, Mehdi Kamrani, S. Chatterjee, S. Choi, M. Zaletel, V. V. Struzhkin, J. E. Moore, Valery I. Levitas, R. Jeanloz, N. Y. Yao Dec 2018

Imaging Stress And Magnetism At High Pressures Using A Nanoscale Quantum Sensor, S. Hsieh, P. Bhattacharyya, C. Zu, T. Mittiga, T. J. Smart, F. Machado, B. Kobrin, T. O. Hohn, N. Z. Rui, Mehdi Kamrani, S. Chatterjee, S. Choi, M. Zaletel, V. V. Struzhkin, J. E. Moore, Valery I. Levitas, R. Jeanloz, N. Y. Yao

Aerospace Engineering Publications

Pressure alters the physical, chemical and electronic properties of matter. The development of the diamond anvil cell (DAC) enables tabletop experiments to investigate a diverse landscape of high-pressure phenomena ranging from the properties of planetary interiors to transitions between quantum mechanical phases. In this work, we introduce and utilize a novel nanoscale sensing platform, which integrates nitrogen-vacancy (NV) color centers directly into the culet (tip) of diamond anvils. We demonstrate the versatility of this platform by performing diffraction-limited imaging (~600 nm) of both stress fields and magnetism, up to pressures ~30 GPa and for temperatures ranging from 25-340 K. For ...


Intercalated Rare-Earth Metals Under Graphene On Sic, Nathaniel A. Anderson, Myron Hupalo, David Keavney, Michael C. Tringides, David Vaknin Nov 2018

Intercalated Rare-Earth Metals Under Graphene On Sic, Nathaniel A. Anderson, Myron Hupalo, David Keavney, Michael C. Tringides, David Vaknin

Ames Laboratory Accepted Manuscripts

Intercalation of rare earth metals (RE = Eu, Dy, and Gd) is achieved by depositing the RE metal on graphene that is grown on silicon-carbide (SiC) and by subsequent annealing at high temperatures to promote intercalation. STM images of the films reveal that the graphene layer is defect free and that each of the intercalated metals has a distinct nucleation pattern. Intercalated Eu forms nano-clusters that are situated on the vertices of a Moirè pattern, while Dy and Gd form randomly distributed nano-clusters. X-ray magnetic circular dichroism (XMCD) measurements of intercalated films reveal the magnetic properties of these REs nano-clusters ...


Suppression Of Antiferromagnetic Spin Fluctuations In Superconducting Cr0.8 Ru0.2, M. Ramazanoglu, Benjamin G. Ueland, D. K. Pratt, L. W. Harringer, J. W. Lynn, G. Ehlers, G. E. Granroth, Sergey L. Bud’Ko, Paul C. Canfield, Deborah L. Schlagel, Alan I. Goldman, Thomas A. Lograsso, Robert J. Mcqueeney Oct 2018

Suppression Of Antiferromagnetic Spin Fluctuations In Superconducting Cr0.8 Ru0.2, M. Ramazanoglu, Benjamin G. Ueland, D. K. Pratt, L. W. Harringer, J. W. Lynn, G. Ehlers, G. E. Granroth, Sergey L. Bud’Ko, Paul C. Canfield, Deborah L. Schlagel, Alan I. Goldman, Thomas A. Lograsso, Robert J. Mcqueeney

Ames Laboratory Accepted Manuscripts

Unconventional superconductivity (SC) often develops in magnetic metals on the cusp of static antiferromagnetic (AFM) order where spin fluctuations are strong. This association is so compelling that many SC materials are labeled as unconventional by proximity to an ordered AFM state. The Cr-Ru alloy system possesses such a phase diagram [see Fig. 1(a)]. Here we use inelastic neutron scattering to show that spin fluctuations are present in a SC Cr0.8Ru0.2 alloy (Tc=1.35 K). However, the neutron spin resonance, a possible signature of unconventional SC, is not observed. Instead, data indicate a spin gap of order ...


Lattice Instability During Solid-Solid Structural Transformations Under A General Applied Stress Tensor: Example Of Si I → Si Ii With Metallization, Nikolai A. Zarkevich, Hao Chen, Valery I. Levitas, Duane D. Johnson Oct 2018

Lattice Instability During Solid-Solid Structural Transformations Under A General Applied Stress Tensor: Example Of Si I → Si Ii With Metallization, Nikolai A. Zarkevich, Hao Chen, Valery I. Levitas, Duane D. Johnson

Aerospace Engineering Publications

The density functional theory was employed to study the stress-strain behavior and elastic instabilities during the solid-solid phase transformation (PT) when subjected to a general stress tensor, as exemplified for semiconducting Si I and metallic Si II, where metallization precedes the PT, so stressed Si I can be a metal. The hydrostatic PT occurs at 76 GPa, while under uniaxial loading it is 11 GPa (3.7 GPa mean pressure), 21 times lower. The Si I → Si II PT is described by a critical value of the phase-field’s modified transformation work, and the PT criterion has only two parameters ...


Magnetic And Electrocatalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, L. M. Martinez, J. A. Delgado, C. L. Saiz, A. Cosio, Y. Wu, D. Villagran, Kinjal Gandha, C. Karthik, I. C. Nlebedim, S. R. Singamaneni Oct 2018

Magnetic And Electrocatalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, L. M. Martinez, J. A. Delgado, C. L. Saiz, A. Cosio, Y. Wu, D. Villagran, Kinjal Gandha, C. Karthik, I. C. Nlebedim, S. R. Singamaneni

Ames Laboratory Accepted Manuscripts

In this paper, the magnetic and electrocatalytic properties of hydrothermally grown transition metal doped (10% of Co, Ni, Fe, and Mn) 2H-MoS2 nanocrystals (NCs) with a particle size 25–30 nm are reported. The pristine 2H-MoS2 NCs showed a mixture of canted anti-ferromagnetic and ferromagnetic behavior. While Co, Ni, and Fe doped MoS2 NCs revealed room temperature ferromagnetism, Mn doped MoS2 NCs showed room temperature paramagnetism, predominantly. The ground state of all the materials is found to be canted-antiferromagnetic phase. To study electrocatalytic performance for hydrogen evolution reaction, polarization curves were measured for undoped and the doped MoS2 NCs. At ...


Is It Possible To Stabilize The 1144-Phase Pnictides With Tri-Valence Cations?, Boqun Song, Manh Cuong Nguyen, Cai-Zhuang Wang, Paul C. Canfield, Kai-Ming Ho Oct 2018

Is It Possible To Stabilize The 1144-Phase Pnictides With Tri-Valence Cations?, Boqun Song, Manh Cuong Nguyen, Cai-Zhuang Wang, Paul C. Canfield, Kai-Ming Ho

Ames Laboratory Accepted Manuscripts

A lately discovered 1144 phase has generated significant interest for its high superconducting temperatures, disorder-free doping, and various chemical substitutions. However, it has only been found in iron arsenides ( A B Fe 4 As 4 ), and cations are limited to +1 or +2 valence states (e.g., alkali metals, alkaline earth elements, and Eu). Whether more 1144 phases could be stabilized and whether intriguing properties exist are questions of general interest. In this work, we investigate 1144 iron and cobalt arsenides with tri-valence cations (La, Y, In, Tl, Sm, Gd). We study phase stability among other competing phases: 122 solution ...


Lack Of Superconductivity In The Phase Diagram Of Single-Crystalline Eu(Fe1-Xcox)(2)As-2 Grown By Transition Metal Arsenide Flux, Gang Wang, William R. Meier, Warren E. Straszheim, Joshua Slagle, Sergey L. Bud’Ko, Paul C. Canfield Oct 2018

Lack Of Superconductivity In The Phase Diagram Of Single-Crystalline Eu(Fe1-Xcox)(2)As-2 Grown By Transition Metal Arsenide Flux, Gang Wang, William R. Meier, Warren E. Straszheim, Joshua Slagle, Sergey L. Bud’Ko, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

The interplay of magnetism and superconductivity (SC) has been a focus of interest in condensed matter physics for decades. EuF e 2 A s 2 has been identified as a potential platform to investigate interactions between structural, magnetic, and electronic effects as well as the coexistence of magnetism and SC with similar transition temperatures. However, there are obvious inconsistencies in the reported phase diagrams of Eu ( F e 1 − x C o x ) 2 A s 2 crystals grown by different methods. For transition metal arsenide (TMA)-flux-grown crystals, even the existence of SC is uncertain. Here we reexamine the ...