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    • 2018-01-09 14:00:44
    • Article ID: 687623

    Breaking Bad Metals with Neutrons

    • Credit: Argonne National Laboratory

      A comparison of the theoretical calculations (top row) and inelastic neutron scattering data from ARCS at the Spallation Neutron Source (bottom row) shows the excellent agreement between the two. The three figures represent different slices through the four-dimensional scattering volumes produced by the electronic excitations.

    By exploiting the properties of neutrons to probe electrons in a metal, a team of researchers led by the U.S. Department of Energy’s (DOE) Argonne National Laboratory has gained new insight into the behavior of correlated electron systems, which are materials that have useful properties such as magnetism or superconductivity.

    The research, to be published in Science, shows how well scientists can predict the properties and functionality of materials, allowing us to explore their potential to be used in novel ways.

    “How do you get to a stage where the models are reliable? This
    paper shows that we can now theoretically model even extremely
    complex systems. These techniques could accelerate our discovery of new materials.” — Ray Osborn, Argonne senior scientist

    “Our mission from the Department of Energy is to discover and then understand novel materials that could form the basis for completely new applications,” said lead author Ray Osborn, a senior scientist in Argonne’s Neutron and X-ray Scattering Group.

    Osborn and his colleagues studied a strongly correlated electron system (CePd3) using neutron scattering to overcome the limitations of other techniques and reveal how the compound’s electrical properties change at high and low temperatures. Osborn expects the results to inspire similar research.

    “Being able to predict with confidence the behavior of electrons as temperatures change should encourage a much more ambitious coupling of experimental results and models than has been previously attempted,” Osborn said.

    “In many metals, we consider the mobile electrons responsible for electrical conduction as moving independently of each other, only weakly affected by electron-electron repulsion,” he said. “However, there is an important class of materials in which electron-electron interactions are so strong they cannot be ignored.”

    Scientists have studied these strongly correlated electron systems for more than five decades, and one of the most important theoretical predictions is that at high temperatures the electron interactions cause random fluctuations that impede their mobility.

    “They become ‘bad’ metals,” Osborn said. However, at low temperatures, the electronic excitations start to resemble those of normal metals, but with much-reduced electron velocities.

    The existence of this crossover from incoherent random fluctuations at high temperature to coherent electronic states at low temperature had been postulated in 1985 by one of the co-authors, Jon Lawrence, a professor at the University of California, Irvine. Although there is some evidence for it in photoemission experiments, Argonne co-author Stephan Rosenkranz noted that it is very difficult to compare these measurements with realistic theoretical calculations because there are too many uncertainties in modeling the experimental intensities.

    The team, based mainly at Argonne and other DOE laboratories, showed that neutrons probe the electrons in a different way that overcomes the limitations of photoemission spectroscopy and other techniques.

    Making this work possible are advances in neutron spectroscopy at DOE’s Spallation Neutron Source (SNS) at Oak Ridge National Laboratory, a DOE Office of Science User Facility, and the United Kingdom’s ISIS Pulsed Neutron Source, which allow comprehensive measurements over a wide range of energies and momentum transfers. Both played critical roles in this study.

    “Neutrons are absolutely essential for this research,” Osborn said. “Neutron scattering is the only technique that is sensitive to the whole spectrum of electronic fluctuations in four dimensions of momentum and energy, and the only technique that can be reliably compared to realistic theoretical calculations on an absolute intensity scale.”

    With this study, these four-dimensional measurements have now been directly compared to calculations using new computational techniques specially developed for strongly correlated electron systems. The technique, known as Dynamical Mean Field Theory, defines a way of calculating electronic properties that include strong electron-electron interactions.

    Osborn acknowledged the contributions of Eugene Goremychkin, a former Argonne scientist who led the data analysis, and Argonne theorist Hyowon Park, who performed the calculations. The agreement between theory and experiments was “truly remarkable,” Osborn said.

    Looking ahead, researchers are optimistic about closing the gap between the results of condensed matter physics experiments and theoretical models.

    “How do you get to a stage where the models are reliable?” Osborn said. “This paper shows that we can now theoretically model even extremely complex systems. These techniques could accelerate our discovery of new materials.”

    Other Argonne authors of the paper, titled “Coherent Band Excitations in CePd3: A Comparison of Neutron Scattering and ab initio Theory,” are Park and John-Paul Castellan of the Materials Science Division. Also contributing to this work were researchers at the Joint Institute for Nuclear Research in Russia; the University of Illinois at Chicago; Karlsruhe Institute of Technology in Germany; Oak Ridge National Laboratory; Los Alamos National Laboratory and the University of California at Irvine.

    Research at Argonne and Los Alamos was funded by DOE’s Materials Sciences and Engineering Division of the Office of Basic Energy Sciences. Research at Oak Ridge’s SNS was supported by the Scientific User Facilities Division of the Office of Basic Energy Sciences. Neutron experiments were performed at the SNS and the ISIS Pulsed Neutron Source, Rutherford Appleton Laboratory in the UK. Blues, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne, also contributed to this research.

    Argonne National Laboratory seeks solutions to pressing national problems in science and technology. The nation's first national laboratory, Argonne conducts leading-edge basic and applied scientific research in virtually every scientific discipline. Argonne researchers work closely with researchers from hundreds of companies, universities, and federal, state and municipal agencies to help them solve their specific problems, advance America's scientific leadership and prepare the nation for a better future. With employees from more than 60 nations, Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy's Office of Science.

    The U.S. Department of Energy's Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit the Office of Science website.

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    Researchers switch material from one state to another with a single flash of light

    Scientists from the Department of Energy's SLAC National Accelerator Laboratory and the Massachusetts Institute of Technology have demonstrated a surprisingly simple way of flipping a material from one state into another, and then back again, with single flashes of laser light.

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    Argonne scientists have identified a new class of topological materials made by inserting transition metal atoms into the atomic lattice of a well-known two-dimensional material.

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    New simulations confirm efficiency of waste-removal process in plasma device

    PPPL scientists have found evidence suggesting that a process could remove the unwanted ash produced during fusion reactions and make the fusion processes more efficient within a type of fusion facility known as a field-reversed configuration device.

    How Animals Use Their Tails to Swish and Swat Away Insects

    A new study shows how animals use their tails to keep mosquitoes at bay by combining a swish that blows away most of the biting bugs and a swat that kills the ones that get through.

    Missing gamma-ray blobs shed new light on dark matter, cosmic magnetism

    Scientists, including researchers from the Department of Energy's SLAC National Accelerator Laboratory, have compiled the most detailed catalog of such blobs using eight years of data collected with the Large Area Telescope (LAT) on NASA's Fermi Gamma-Ray Space Telescope. The blobs, including 19 gamma-ray sources that weren't known to be extended before, provide crucial information on how stars are born, how they die, and how galaxies spew out matter trillions of miles into space.


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    Engineering professor receives Department of Energy grant

    New Mexico State University Department of Civil Engineering Assistant Professor Ehsan Dehghan Niri has received a United States Department of Energy grant. This is a three-year award for $400,000 and is a collaboration with Arizona State University.

    AVS and AIP Publishing Expand Partnership to Launch AVS Quantum Science

    AIP Publishing and AVS: Science and Technology of Materials, Interfaces, and Processing (AVS) today announced an agreement to publish AVS Quantum Science, a new online interdisciplinary journal. The announcement coincides with the AVS 65th International Symposium & Exhibition in Long Beach, California, from October 21-26, 2018.

    Prototype Solar Energy, Battery Systems to Fuel Commercialization

    Designing, building and testing prototype systems that show how renewable energy can power devices, such as a weather and soil sensor station, can help bridge the gap between basic science research and commercialization.

    Argonne to Advance High Performance Computing in Manufacturing

    Argonne awarded funding to partner with Industry to advance the use of high performance computing in manufacturing.

    "Invisible Glass" Wins 2018 Create the Future Design Contest Grand Prize

    Scientists from the Center for Functional Nanomaterials developed a technique for making nonreflecting glass, silicon, and plastic surfaces.

    Missouri S&T researchers win multimillion dollar grant to build fast-charging stations for electric cars

    Researchers from Missouri S&T and three private companies will combine their expertise to create charging stations for electric vehicles that could charge a car in less than 10 minutes - matching the time it takes to fill up a conventional vehicle with gasoline."The big problem with electric vehicles is range, and it's not so much range as range anxiety.

    Making batteries store more energy, last longer

    A new solid polymer electrolyte may help make cell phone batteries store more energy and last longer.

    Three Brookhaven Lab Scientists Named Fellows of American Physical Society

    The American Physical Society (APS), the world's largest physics organization, has elected three scientists from the U.S. Department of Energy's (DOE) Brookhaven National Laboratory as 2018 APS fellows.

    Southern Research first to win accreditation under ISO 14034

    Southern Research has become the first organization in the United States to earn accreditation under ISO 14034, a new international standard for evaluating and verifying environmental technologies that was recently adopted by the American National Standards Institute.

    Kawtar Hafidi to head Physical Sciences and Engineering directorate at Argonne

    Physicist Kawtar Hafidi has been appointed Associate Laboratory Director, Physical Sciences and Engineering at the U.S. Department of Energy's (DOE) Argonne National Laboratory.


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    Cryocooler Cools an Accelerator Cavity

    Researchers demonstrated cryogen-free operation of a superconducting radio-frequency cavity that might ease barriers to its use in societal applications.

    Shining Light on the Separation of Rare Earth Metals

    New studies identify key molecular characteristics to potentially separate rare earth metals cleanly and efficiently with light.

    Placing Atoms for Optimum Catalysts

    Precise positioning of oxygens could help engineer faster, more efficient energy-relevant chemical transformations.

    How to Make Soot and Stardust

    Scientists unlock mystery that could help reduce emissions of fine particles from combustion engines and other sources.

    Breaking the Symmetry Between Fundamental Forces

    Scientists improve our understanding of the relationship between fundamental forces by re-creating the earliest moments of the universe.

    Water Plays Unexpected Role in Forming Minerals

    Water molecules line up tiny particles to attach and form minerals; understanding how this happens impacts energy extraction and storage along with waste disposal.

    Heavy Particles Get Caught Up in the Flow

    First direct measurement show how heavy particles containing a charm quark get caught up in the flow of early universe particle soup.

    Seeing Between the Atoms

    New detector enables electron microscope imaging at record-breaking resolution.

    Scaling Up Single-Crystal Graphene

    New method can make films of atomically thin carbon that are over a foot long.

    Discovered: Optimal Magnetic Fields Suppress Instabilities in Tokamak Plasmas

    U.S. and Korean scientists show how to find and use beneficial 3-D field perturbations to stabilize dangerous edge-localized modes in plasma.


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