Preparation of a high concentration of lithium-7 atoms in a magneto-optical trap

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zelener, B. B., E-mail: bobozel@mail.ru; Saakyan, S. A.; Sautenkov, V. A.

2014-11-15

This study is aimed at obtaining high concentration of optically cooled lithium-7 atoms for preparing strongly interacting ultracold plasma and Rydberg matter. A special setup has been constructed, in which two high-power semiconductor lasers are used to cool lithium-7 atoms in a magneto-optical trap. At an optimum detuning of the cooling laser frequency and a magnetic field gradient of 35 G/cm, the concentration of ultracold lithium-7 atoms reaches about 10{sup 11} cm{sup −3}. Additional independent information about the concentration and number of ultracold lithium-7 atoms on different sublevels of the ground state was obtained by using of an additional probingmore » laser.« less

Atomic quantum simulation of dynamical gauge fields coupled to fermionic matter: from string breaking to evolution after a quench.

PubMed

Banerjee, D; Dalmonte, M; Müller, M; Rico, E; Stebler, P; Wiese, U-J; Zoller, P

2012-10-26

Using a Fermi-Bose mixture of ultracold atoms in an optical lattice, we construct a quantum simulator for a U(1) gauge theory coupled to fermionic matter. The construction is based on quantum links which realize continuous gauge symmetry with discrete quantum variables. At low energies, quantum link models with staggered fermions emerge from a Hubbard-type model which can be quantum simulated. This allows us to investigate string breaking as well as the real-time evolution after a quench in gauge theories, which are inaccessible to classical simulation methods.

Creating Spin-One Fermions in the Presence of Artificial Spin-Orbit Fields: Emergent Spinor Physics and Spectroscopic Properties

NASA Astrophysics Data System (ADS)

Kurkcuoglu, Doga Murat; de Melo, C. A. R. Sá

2018-05-01

We propose the creation and investigation of a system of spin-one fermions in the presence of artificial spin-orbit coupling, via the interaction of three hyperfine states of fermionic atoms to Raman laser fields. We explore the emergence of spinor physics in the Hamiltonian described by the interaction between light and atoms, and analyze spectroscopic properties such as dispersion relation, Fermi surfaces, spectral functions, spin-dependent momentum distributions and density of states. Connections to spin-one bosons and SU(3) systems is made, as well relations to the Lifshitz transition and Pomeranchuk instability are presented.

designer phase transitions in lithium-based spinels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wouter Montfrooij

When electrons in a metal become correlated with each other, new cooperative behavior can arise. This correlation is magnified when the metal has magnetic ions embedded in it. These atomic magnets try to line up with each other, but in doing so actually create a correlation between the motions of conduction electrons. In turn, these correlated electron motions prevent the magnetic ions from aligning, even at zero Kelvin. When this competition is strongest (at the so-called quantum critical point-QCP) the response of the system can no longer be described using the text book theory for metals. In addition, a rangemore » of new phenomena has been seen to emerge in the vicinity of a QCP, such as heavy-fermion superconductivity, coexistence of magnetism and superconductivity and hyper-scaling. The main goal of our research is to try to unravel the details of the feedback mechanism between electron motion and magnetism that lies at the heart of this new physics. We have chosen lithium-based spinel structures as the most promising family of systems to achieve our goal. Known lithium-based spinels Li{sub x}M{sub 2}O{sub 4} [M=V, Ti and Mn] show a variety of ground states: heavy-fermion, superconducting, or geometrically frustrated local moment systems. Li{sub x}M{sub 2}O{sub 4} should be ideal systems for studying QCPs since their properties can easily be fine-tuned, simply by extracting some Li [which can be done without introducing disorder in the immediate surroundings of the magnetic ions]. The premise of the proposal was that since this Li-extraction can be done both in the metallic as well as in insulating compounds, that we can expand the types of quantum phase transitions that can be studied to beyond transitions in magnetic metals. The project called for developing a better understanding of quantum phase transitions by measuring all aspects of the electronic response of Li{sub x}M{sub 2}O{sub 4} by means of neutron scattering, giving microscopic information about the behavior of the individual magnetic moments and their interactions, as well as by macroscopic measurements. In addition, the aim was to synthesize new lithium-based spinel compounds by using other transition metals that exhibit both 3{sup +} and 4{sup +} valencies. Here we report on the progress we have made during the course of this grant both towards the stated goals and on new avenues that developed as a direct result of the data we collected during this grant.« less

Particle statistics and lossy dynamics of ultracold atoms in optical lattices

NASA Astrophysics Data System (ADS)

Yago Malo, J.; van Nieuwenburg, E. P. L.; Fischer, M. H.; Daley, A. J.

2018-05-01

Experimental control over ultracold quantum gases has made it possible to investigate low-dimensional systems of both bosonic and fermionic atoms. In closed one-dimensional systems there are many similarities in the dynamics of local quantities for spinless fermions and strongly interacting "hard-core" bosons, which on a lattice can be formalized via a Jordan-Wigner transformation. In this study, we analyze the similarities and differences for spinless fermions and hard-core bosons on a lattice in the presence of particle loss. The removal of a single fermion causes differences in local quantities compared with the bosonic case because of the different particle exchange symmetry in the two cases. We identify deterministic and probabilistic signatures of these dynamics in terms of local particle density, which could be measured in ongoing experiments with quantum gas microscopes.

Band and Correlated Insulators of Cold Fermions in a Mesoscopic Lattice

NASA Astrophysics Data System (ADS)

Lebrat, Martin; Grišins, Pjotrs; Husmann, Dominik; Häusler, Samuel; Corman, Laura; Giamarchi, Thierry; Brantut, Jean-Philippe; Esslinger, Tilman

2018-01-01

We investigate the transport properties of neutral, fermionic atoms passing through a one-dimensional quantum wire containing a mesoscopic lattice. The lattice is realized by projecting individually controlled, thin optical barriers on top of a ballistic conductor. Building an increasingly longer lattice, one site after another, we observe and characterize the emergence of a band insulating phase, demonstrating control over quantum-coherent transport. We explore the influence of atom-atom interactions and show that the insulating state persists as contact interactions are tuned from moderately to strongly attractive. Using bosonization and classical Monte Carlo simulations, we analyze such a model of interacting fermions and find good qualitative agreement with the data. The robustness of the insulating state supports the existence of a Luther-Emery liquid in the one-dimensional wire. Our work realizes a tunable, site-controlled lattice Fermi gas strongly coupled to reservoirs, which is an ideal test bed for nonequilibrium many-body physics.

Grassmann phase space theory and the Jaynes-Cummings model

NASA Astrophysics Data System (ADS)

Dalton, B. J.; Garraway, B. M.; Jeffers, J.; Barnett, S. M.

2013-07-01

The Jaynes-Cummings model of a two-level atom in a single mode cavity is of fundamental importance both in quantum optics and in quantum physics generally, involving the interaction of two simple quantum systems—one fermionic system (the TLA), the other bosonic (the cavity mode). Depending on the initial conditions a variety of interesting effects occur, ranging from ongoing oscillations of the atomic population difference at the Rabi frequency when the atom is excited and the cavity is in an n-photon Fock state, to collapses and revivals of these oscillations starting with the atom unexcited and the cavity mode in a coherent state. The observation of revivals for Rydberg atoms in a high-Q microwave cavity is key experimental evidence for quantisation of the EM field. Theoretical treatments of the Jaynes-Cummings model based on expanding the state vector in terms of products of atomic and n-photon states and deriving coupled equations for the amplitudes are a well-known and simple method for determining the effects. In quantum optics however, the behaviour of the bosonic quantum EM field is often treated using phase space methods, where the bosonic mode annihilation and creation operators are represented by c-number phase space variables, with the density operator represented by a distribution function of these variables. Fokker-Planck equations for the distribution function are obtained, and either used directly to determine quantities of experimental interest or used to develop c-number Langevin equations for stochastic versions of the phase space variables from which experimental quantities are obtained as stochastic averages. Phase space methods have also been developed to include atomic systems, with the atomic spin operators being represented by c-number phase space variables, and distribution functions involving these variables and those for any bosonic modes being shown to satisfy Fokker-Planck equations from which c-number Langevin equations are often developed. However, atomic spin operators satisfy the standard angular momentum commutation rules rather than the commutation rules for bosonic annihilation and creation operators, and are in fact second order combinations of fermionic annihilation and creation operators. Though phase space methods in which the fermionic operators are represented directly by c-number phase space variables have not been successful, the anti-commutation rules for these operators suggest the possibility of using Grassmann variables—which have similar anti-commutation properties. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of phase space methods in quantum optics to treat fermionic systems by representing fermionic annihilation and creation operators directly by Grassmann phase space variables is rather rare. This paper shows that phase space methods using a positive P type distribution function involving both c-number variables (for the cavity mode) and Grassmann variables (for the TLA) can be used to treat the Jaynes-Cummings model. Although it is a Grassmann function, the distribution function is equivalent to six c-number functions of the two bosonic variables. Experimental quantities are given as bosonic phase space integrals involving the six functions. A Fokker-Planck equation involving both left and right Grassmann differentiations can be obtained for the distribution function, and is equivalent to six coupled equations for the six c-number functions. The approach used involves choosing the canonical form of the (non-unique) positive P distribution function, in which the correspondence rules for the bosonic operators are non-standard and hence the Fokker-Planck equation is also unusual. Initial conditions, such as those above for initially uncorrelated states, are discussed and used to determine the initial distribution function. Transformations to new bosonic variables rotating at the cavity frequency enable the six coupled equations for the new c-number functions-that are also equivalent to the canonical Grassmann distribution function-to be solved analytically, based on an ansatz from an earlier paper by Stenholm. It is then shown that the distribution function is exactly the same as that determined from the well-known solution based on coupled amplitude equations. In quantum-atom optics theories for many atom bosonic and fermionic systems are needed. With large atom numbers, treatments must often take into account many quantum modes—especially for fermions. Generalisations of phase space distribution functions of phase space variables for a few modes to phase space distribution functionals of field functions (which represent the field operators, c-number fields for bosons, Grassmann fields for fermions) are now being developed for large systems. For the fermionic case, the treatment of the simple two mode problem represented by the Jaynes-Cummings model is a useful test case for the future development of phase space Grassmann distribution functional methods for fermionic applications in quantum-atom optics.

Solid-solution thermodynamics in Al-Li alloys

NASA Astrophysics Data System (ADS)

Alekseev, A. A.; Lukina, E. A.

2016-05-01

The relative equilibrium concentrations of lithium atoms distributed over different electron-structural states has been estimated. The possibility of the existence of various nonequilibrium electron-structural states of Li atoms in the solid solution in Al has been substantiated thermodynamically. Upon the decomposition of the supersaturated solid solution, the supersaturation on three electron-structural states of Li atoms that arises upon the quenching of the alloy can lead to the formation of lithium-containing phases in which the lithium atoms enter in one electron-structural state.

NREL's Advanced Atomic Layer Deposition Enables Lithium-Ion Battery

Science.gov Websites

Battery Technology News Release: NREL's Advanced Atomic Layer Deposition Enables Lithium-Ion Battery increasingly demanding needs of any battery application. These lithium-ion batteries feature a hybrid solid further customized lithium-ion battery materials for high performance devices by utilizing our patented

Grassmann phase space theory and the Jaynes–Cummings model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dalton, B.J., E-mail: bdalton@swin.edu.au; Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne, Victoria 3122; Garraway, B.M.

2013-07-15

The Jaynes–Cummings model of a two-level atom in a single mode cavity is of fundamental importance both in quantum optics and in quantum physics generally, involving the interaction of two simple quantum systems—one fermionic system (the TLA), the other bosonic (the cavity mode). Depending on the initial conditions a variety of interesting effects occur, ranging from ongoing oscillations of the atomic population difference at the Rabi frequency when the atom is excited and the cavity is in an n-photon Fock state, to collapses and revivals of these oscillations starting with the atom unexcited and the cavity mode in a coherentmore » state. The observation of revivals for Rydberg atoms in a high-Q microwave cavity is key experimental evidence for quantisation of the EM field. Theoretical treatments of the Jaynes–Cummings model based on expanding the state vector in terms of products of atomic and n-photon states and deriving coupled equations for the amplitudes are a well-known and simple method for determining the effects. In quantum optics however, the behaviour of the bosonic quantum EM field is often treated using phase space methods, where the bosonic mode annihilation and creation operators are represented by c-number phase space variables, with the density operator represented by a distribution function of these variables. Fokker–Planck equations for the distribution function are obtained, and either used directly to determine quantities of experimental interest or used to develop c-number Langevin equations for stochastic versions of the phase space variables from which experimental quantities are obtained as stochastic averages. Phase space methods have also been developed to include atomic systems, with the atomic spin operators being represented by c-number phase space variables, and distribution functions involving these variables and those for any bosonic modes being shown to satisfy Fokker–Planck equations from which c-number Langevin equations are often developed. However, atomic spin operators satisfy the standard angular momentum commutation rules rather than the commutation rules for bosonic annihilation and creation operators, and are in fact second order combinations of fermionic annihilation and creation operators. Though phase space methods in which the fermionic operators are represented directly by c-number phase space variables have not been successful, the anti-commutation rules for these operators suggest the possibility of using Grassmann variables—which have similar anti-commutation properties. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of phase space methods in quantum optics to treat fermionic systems by representing fermionic annihilation and creation operators directly by Grassmann phase space variables is rather rare. This paper shows that phase space methods using a positive P type distribution function involving both c-number variables (for the cavity mode) and Grassmann variables (for the TLA) can be used to treat the Jaynes–Cummings model. Although it is a Grassmann function, the distribution function is equivalent to six c-number functions of the two bosonic variables. Experimental quantities are given as bosonic phase space integrals involving the six functions. A Fokker–Planck equation involving both left and right Grassmann differentiations can be obtained for the distribution function, and is equivalent to six coupled equations for the six c-number functions. The approach used involves choosing the canonical form of the (non-unique) positive P distribution function, in which the correspondence rules for the bosonic operators are non-standard and hence the Fokker–Planck equation is also unusual. Initial conditions, such as those above for initially uncorrelated states, are discussed and used to determine the initial distribution function. Transformations to new bosonic variables rotating at the cavity frequency enable the six coupled equations for the new c-number functions–that are also equivalent to the canonical Grassmann distribution function–to be solved analytically, based on an ansatz from an earlier paper by Stenholm. It is then shown that the distribution function is exactly the same as that determined from the well-known solution based on coupled amplitude equations. In quantum–atom optics theories for many atom bosonic and fermionic systems are needed. With large atom numbers, treatments must often take into account many quantum modes—especially for fermions. Generalisations of phase space distribution functions of phase space variables for a few modes to phase space distribution functionals of field functions (which represent the field operators, c-number fields for bosons, Grassmann fields for fermions) are now being developed for large systems. For the fermionic case, the treatment of the simple two mode problem represented by the Jaynes–Cummings model is a useful test case for the future development of phase space Grassmann distribution functional methods for fermionic applications in quantum–atom optics. -- Highlights: •Novel phase space theory of the Jaynes–Cummings model using Grassmann variables. •Fokker–Planck equations solved analytically. •Results agree with the standard quantum optics treatment. •Grassmann phase space theory applicable to fermion many-body problems.« less

Momentum sharing in imbalanced Fermi systems

NASA Astrophysics Data System (ADS)

Hen, O.; Sargsian, M.; Weinstein, L. B.; Piasetzky, E.; Hakobyan, H.; Higinbotham, D. W.; Braverman, M.; Brooks, W. K.; Gilad, S.; Adhikari, K. P.; Arrington, J.; Asryan, G.; Avakian, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Beck, A.; Beck, S. May-Tal; Bedlinskiy, I.; Bertozzi, W.; Biselli, A.; Burkert, V. D.; Cao, T.; Carman, D. S.; Celentano, A.; Chandavar, S.; Colaneri, L.; Cole, P. L.; Crede, V.; D'Angelo, A.; De Vita, R.; Deur, A.; Djalali, C.; Doughty, D.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Fedotov, G.; Fegan, S.; Forest, T.; Garillon, B.; Garcon, M.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Girod, F. X.; Goetz, J. T.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hanretty, C.; Hattawy, M.; Hicks, K.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkanov, B. I.; Isupov, E. L.; Jiang, H.; Jo, H. S.; Joo, K.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, F. J.; Koirala, S.; Korover, I.; Kuhn, S. E.; Kubarovsky, V.; Lenisa, P.; Levine, W. I.; Livingston, K.; Lowry, M.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Mineeva, T.; Mokeev, V.; Movsisyan, A.; Camacho, C. Munoz; Mustapha, B.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Rimal, D.; Ripani, M.; Ritchie, B. G.; Rizzo, A.; Rosner, G.; Roy, P.; Rossi, P.; Sabatié, F.; Schott, D.; Schumacher, R. A.; Sharabian, Y. G.; Smith, G. D.; Shneor, R.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Stoler, P.; Strauch, S.; Sytnik, V.; Taiuti, M.; Tkachenko, S.; Ungaro, M.; Vlassov, A. V.; Voutier, E.; Walford, N. K.; Wei, X.; Wood, M. H.; Wood, S. A.; Zachariou, N.; Zana, L.; Zhao, Z. W.; Zheng, X.; Zonta, I.; aff16

2014-10-01

The atomic nucleus is composed of two different kinds of fermions: protons and neutrons. If the protons and neutrons did not interact, the Pauli exclusion principle would force the majority of fermions (usually neutrons) to have a higher average momentum. Our high-energy electron-scattering measurements using 12C, 27Al, 56Fe, and 208Pb targets show that even in heavy, neutron-rich nuclei, short-range interactions between the fermions form correlated high-momentum neutron-proton pairs. Thus, in neutron-rich nuclei, protons have a greater probability than neutrons to have momentum greater than the Fermi momentum. This finding has implications ranging from nuclear few-body systems to neutron stars and may also be observable experimentally in two-spin-state, ultracold atomic gas systems.

Digital Quantum Simulation of Z2 Lattice Gauge Theories with Dynamical Fermionic Matter

NASA Astrophysics Data System (ADS)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2 +1 ) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z2 model in (2 +1 ) dimensions.

Digital Quantum Simulation of Z_{2} Lattice Gauge Theories with Dynamical Fermionic Matter.

PubMed

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J Ignacio

2017-02-17

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2+1) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z_{2} model in (2+1) dimensions.

Rational design of atomic-layer-deposited LiFePO4 as a high-performance cathode for lithium-ion batteries.

PubMed

Liu, Jian; Banis, Mohammad N; Sun, Qian; Lushington, Andrew; Li, Ruying; Sham, Tsun-Kong; Sun, Xueliang

2014-10-08

Atomic layer deposition is successfully applied to synthesize lithium iron phosphate in a layer-by-layer manner by using self-limiting surface reactions. The lithium iron phosphate exhibits high power density, excellent rate capability, and ultra-long lifetime, showing great potential for vehicular lithium batteries and 3D all-solid-state microbatteries. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking

NASA Astrophysics Data System (ADS)

Ortiz, Yenni P.; Stegmann, Thomas; Klein, Douglas J.; Seligman, Thomas H.

2017-09-01

We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes distinguish the different configurations. For more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essentially followed by the adsorbate. On poly-p-phenylenes we found that lithium adsorption reduces and often eliminates the torsion between rings thus increasing symmetry. There is spontaneous symmetry breaking in poly-p-phenylenes due to double adsorption of lithium atoms on alternating rings.

Momentum sharing in imbalanced Fermi systems

DOE PAGES

Hen, O.; Sargsian, M.; Weinstein, L. B.; ...

2014-10-16

The atomic nucleus is composed of two different kinds of fermions, protons and neutrons. If the protons and neutrons did not interact, the Pauli exclusion principle would force the majority fermions (usually neutrons) to have a higher average momentum. Our high-energy electron scattering measurements using 12C, 27Al, 56Fe and 208Pb targets show that, even in heavy neutron-rich nuclei, short-range interactions between the fermions form correlated high-momentum neutron-proton pairs. Thus, in neutron-rich nuclei, protons have a greater probability than neutrons to have momentum greater than the Fermi momentum. This finding has implications ranging from nuclear few body systems to neutron starsmore » and may also be observable experimentally in two-spin state, ultra-cold atomic gas systems.« less

Nuclear physics. Momentum sharing in imbalanced Fermi systems.

PubMed

Hen, O; Sargsian, M; Weinstein, L B; Piasetzky, E; Hakobyan, H; Higinbotham, D W; Braverman, M; Brooks, W K; Gilad, S; Adhikari, K P; Arrington, J; Asryan, G; Avakian, H; Ball, J; Baltzell, N A; Battaglieri, M; Beck, A; May-Tal Beck, S; Bedlinskiy, I; Bertozzi, W; Biselli, A; Burkert, V D; Cao, T; Carman, D S; Celentano, A; Chandavar, S; Colaneri, L; Cole, P L; Crede, V; D'Angelo, A; De Vita, R; Deur, A; Djalali, C; Doughty, D; Dugger, M; Dupre, R; Egiyan, H; El Alaoui, A; El Fassi, L; Elouadrhiri, L; Fedotov, G; Fegan, S; Forest, T; Garillon, B; Garcon, M; Gevorgyan, N; Ghandilyan, Y; Gilfoyle, G P; Girod, F X; Goetz, J T; Gothe, R W; Griffioen, K A; Guidal, M; Guo, L; Hafidi, K; Hanretty, C; Hattawy, M; Hicks, K; Holtrop, M; Hyde, C E; Ilieva, Y; Ireland, D G; Ishkanov, B I; Isupov, E L; Jiang, H; Jo, H S; Joo, K; Keller, D; Khandaker, M; Kim, A; Kim, W; Klein, F J; Koirala, S; Korover, I; Kuhn, S E; Kubarovsky, V; Lenisa, P; Levine, W I; Livingston, K; Lowry, M; Lu, H Y; MacGregor, I J D; Markov, N; Mayer, M; McKinnon, B; Mineeva, T; Mokeev, V; Movsisyan, A; Munoz Camacho, C; Mustapha, B; Nadel-Turonski, P; Niccolai, S; Niculescu, G; Niculescu, I; Osipenko, M; Pappalardo, L L; Paremuzyan, R; Park, K; Pasyuk, E; Phelps, W; Pisano, S; Pogorelko, O; Price, J W; Procureur, S; Prok, Y; Protopopescu, D; Puckett, A J R; Rimal, D; Ripani, M; Ritchie, B G; Rizzo, A; Rosner, G; Roy, P; Rossi, P; Sabatié, F; Schott, D; Schumacher, R A; Sharabian, Y G; Smith, G D; Shneor, R; Sokhan, D; Stepanyan, S S; Stepanyan, S; Stoler, P; Strauch, S; Sytnik, V; Taiuti, M; Tkachenko, S; Ungaro, M; Vlassov, A V; Voutier, E; Walford, N K; Wei, X; Wood, M H; Wood, S A; Zachariou, N; Zana, L; Zhao, Z W; Zheng, X; Zonta, I

2014-10-31

The atomic nucleus is composed of two different kinds of fermions: protons and neutrons. If the protons and neutrons did not interact, the Pauli exclusion principle would force the majority of fermions (usually neutrons) to have a higher average momentum. Our high-energy electron-scattering measurements using (12)C, (27)Al, (56)Fe, and (208)Pb targets show that even in heavy, neutron-rich nuclei, short-range interactions between the fermions form correlated high-momentum neutron-proton pairs. Thus, in neutron-rich nuclei, protons have a greater probability than neutrons to have momentum greater than the Fermi momentum. This finding has implications ranging from nuclear few-body systems to neutron stars and may also be observable experimentally in two-spin-state, ultracold atomic gas systems. Copyright © 2014, American Association for the Advancement of Science.

Many-body physics using cold atoms

NASA Astrophysics Data System (ADS)

Sundar, Bhuvanesh

Advances in experiments on dilute ultracold atomic gases have given us access to highly tunable quantum systems. In particular, there have been substantial improvements in achieving different kinds of interaction between atoms. As a result, utracold atomic gases oer an ideal platform to simulate many-body phenomena in condensed matter physics, and engineer other novel phenomena that are a result of the exotic interactions produced between atoms. In this dissertation, I present a series of studies that explore the physics of dilute ultracold atomic gases in different settings. In each setting, I explore a different form of the inter-particle interaction. Motivated by experiments which induce artificial spin-orbit coupling for cold fermions, I explore this system in my first project. In this project, I propose a method to perform universal quantum computation using the excitations of interacting spin-orbit coupled fermions, in which effective p-wave interactions lead to the formation of a topological superfluid. Motivated by experiments which explore the physics of exotic interactions between atoms trapped inside optical cavities, I explore this system in a second project. I calculate the phase diagram of lattice bosons trapped in an optical cavity, where the cavity modes mediates effective global range checkerboard interactions between the atoms. I compare this phase diagram with one that was recently measured experimentally. In two other projects, I explore quantum simulation of condensed matter phenomena due to spin-dependent interactions between particles. I propose a method to produce tunable spin-dependent interactions between atoms, using an optical Feshbach resonance. In one project, I use these spin-dependent interactions in an ultracold Bose-Fermi system, and propose a method to produce the Kondo model. I propose an experiment to directly observe the Kondo effect in this system. In another project, I propose using lattice bosons with a large hyperfine spin, which have Feshbach-induced spin-dependent interactions, to produce a quantum dimer model. I propose an experiment to detect the ground state in this system. In a final project, I develop tools to simulate the dynamics of fermionic superfluids in which fermions interact via a short-range interaction.

Spin-orbit-coupled fermions in an optical lattice clock

NASA Astrophysics Data System (ADS)

Kolkowitz, S.; Bromley, S. L.; Bothwell, T.; Wall, M. L.; Marti, G. E.; Koller, A. P.; Zhang, X.; Rey, A. M.; Ye, J.

2017-02-01

Engineered spin-orbit coupling (SOC) in cold-atom systems can enable the study of new synthetic materials and complex condensed matter phenomena. However, spontaneous emission in alkali-atom spin-orbit-coupled systems is hindered by heating, limiting the observation of many-body effects and motivating research into potential alternatives. Here we demonstrate that spin-orbit-coupled fermions can be engineered to occur naturally in a one-dimensional optical lattice clock. In contrast to previous SOC experiments, here the SOC is both generated and probed using a direct ultra-narrow optical clock transition between two electronic orbital states in 87Sr atoms. We use clock spectroscopy to prepare lattice band populations, internal electronic states and quasi-momenta, and to produce spin-orbit-coupled dynamics. The exceptionally long lifetime of the excited clock state (160 seconds) eliminates decoherence and atom loss from spontaneous emission at all relevant experimental timescales, allowing subsequent momentum- and spin-resolved in situ probing of the SOC band structure and eigenstates. We use these capabilities to study Bloch oscillations, spin-momentum locking and Van Hove singularities in the transition density of states. Our results lay the groundwork for using fermionic optical lattice clocks to probe new phases of matter.

Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

PubMed

Cramer, M; Eisert, J; Illuminati, F

2004-11-05

We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

Structure of Li5AlS4 and comparison with other lithium-containing metal sulfides

NASA Astrophysics Data System (ADS)

Lim, Hanjin; Kim, Sung-Chul; Kim, Jaegyeom; Kim, Young-Il; Kim, Seung-Joo

2018-01-01

Lithium aluminum sulfide (Li5AlS4) was synthesized by solid state reaction, and its crystal structure was characterized by ab initio structure determination on the basis of powder neutron diffraction (ND) data. Li5AlS4 was found to have monoclinic unit cell (space group, P21/m) with the lattice parameters: a = 6.8583(4) Å, b = 7.8369(4) Å, c = 6.2488(4) Å, and β = 90.333(4)°. This structure is built from a hexagonal close-packed (hcp) arrangement of sulfur atoms with a stacking sequence of …ABAB…. The hcp sulfide lattice consists of two different double-sulfide layers alternately stacked along the c-axis. Between the first pair of sulfur layers all the tetrahedral interstices (T+ and T- sites) are filled with lithium and aluminum atoms. All octahedral interstices between the second pair of sulfur layers are occupied by the remaining lithium atoms. The structure of Li5AlS4 is compared with those of various lithium-containing metal sulfides like Li2FeS2, NaLiMS2 (M = Zn, Cd), Li4GeS4, LiM‧S2 (M‧ = Al, Ga, In) and γ-Li3PS4. Each sulfide represents a specific distribution of lithium atoms in the lattice depending on how the octahedral and tetrahedral interstitial sites are filled. The low ionic conductivity of Li5AlS4 (9.7 × 10-9 S cm-1 at 323 K) relative to other sulfides may be due to the highly-ordered distribution of the lithium atoms in the layered structure and the lack of adjacent void spaces that can be used for lithium ion hopping.

Atomic layer deposition of TiO2 shells on MoO3 nanobelts allowing enhanced lithium storage performance.

PubMed

Xie, Sanmu; Cao, Daxian; She, Yiyi; Wang, Hongkang; Shi, Jian-Wen; Leung, Micheal K H; Niu, Chunming

2018-06-26

Atomic layer deposition (ALD) of TiO2 shells on MoO3 nanobelts (denote as TiO2@MoO3) is realized using a home-made ALD system, which allows a controllable hydrolysis reaction of TiCl4-H2O on an atomic scale. When used as an anode material for lithium ion batteries, the TiO2@MoO3 electrode demonstrates much enhanced lithium storage performance including higher specific capacity, better cycling stability and rate capability.

Solitonic Excitations in Fermionic Superfluids and Progress towards Fermi Gas in Uniform Potential

NASA Astrophysics Data System (ADS)

Ku, Mark; Mukherjee, Biswaroop; Guardado-Sanchez, Elmer; Yan, Zhenjie; Patel, Parth; Yefsah, Tarik; Struck, Julian; Zwierlein, Martin

2015-05-01

We follow the evolution of a superfluid Fermi gas of 6Li atoms following a one-sided π phase imprint. Via tomographic imaging, we observe the formation of a planar dark soliton, and its subsequent snaking and decay into a vortex ring. The latter eventually breaks at the boundary of the superfluid, finally leaving behind a single, remnant solitonic vortex. The nodal surface is directly imaged and reveals its decay into a vortex ring via a puncture of the initial soliton plane. At intermediate stages we find evidence for more exotic structures resembling Φ-solitons. The observed evolution of the nodal surface represents dynamics that occurs at the length scale of the interparticle spacing, thus providing new experimental input for microscopic theories of strongly correlated fermions. We also report on the trapping of fermionic atoms of 6Li in a quasi-homogenous all-optical potential, and discuss progress towards directly observing the momentum distribution of the fermions in a box. This new tool offers the possibility to quantitatively study Fermi gases at finite temperature and in the presence of spin-imbalance, with unprecedented accuracy.

Lithium Assisted “Dissolution–Alloying” Synthesis of Nanoalloys from Individual Bulk Metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barkholtz, Heather M.; Gallagher, James R.; Li, Tao

2016-04-12

We report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (similar to 200 degrees C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, which results in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron X-ray adsorption techniques. Then, upon the conversion of metal lithium tomore » LiOH in humid air, the Pd and Pt atoms undergo an alloying process to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted "dissolution-alloying" method bypasses many complications intrinsic to conventional ion reduction-based nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.« less

Lithium assisted “dissolution–alloying” synthesis of nanoalloys from individual bulk metals

DOE PAGES

Barkholtz, Heather M.; Gallagher, James R.; Li, Tao; ...

2016-03-27

Here, we report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (~200°C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, resulting in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron Xray adsorption techniques. Then, upon the conversion of metal lithium to LiOH in humid air,more » the Pd and Pt atoms undergo an alloying process, to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted “dissolutionalloying” method bypasses many complications intrinsic to conventional ion reductionbased nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.« less

Plasma synthesis of lithium based intercalation powders for solid polymer electrolyte batteries

DOEpatents

Kong, Peter C [Idaho Falls, ID; Pink, Robert J [Pocatello, ID; Nelson, Lee O [Idaho Falls, ID

2005-01-04

The invention relates to a process for preparing lithium intercalation compounds by plasma reaction comprising the steps of: forming a feed solution by mixing lithium nitrate or lithium hydroxide or lithium oxide and the required metal nitrate or metal hydroxide or metal oxide and between 10-50% alcohol by weight; mixing the feed solution with O.sub.2 gas wherein the O.sub.2 gas atomizes the feed solution into fine reactant droplets, inserting the atomized feed solution into a plasma reactor to form an intercalation powder; and if desired, heating the resulting powder to from a very pure single phase product.

Lithium-air batteries, method for making lithium-air batteries

DOEpatents

Vajda, Stefan; Curtiss, Larry A.; Lu, Jun; Amine, Khalil; Tyo, Eric C.

2016-11-15

The invention provides a method for generating Li.sub.2O.sub.2 or composites of it, the method uses mixing lithium ions with oxygen ions in the presence of a catalyst. The catalyst comprises a plurality of metal clusters, their alloys and mixtures, each cluster consisting of between 3 and 18 metal atoms. The invention also describes a lithium-air battery which uses a lithium metal anode, and a cathode opposing the anode. The cathode supports metal clusters, each cluster consisting of size selected clusters, taken from a range of between approximately 3 and approximately 18 metal atoms, and an electrolyte positioned between the anode and the cathode.

Counting of fermions and spins in strongly correlated systems in and out of thermal equilibrium

NASA Astrophysics Data System (ADS)

Braungardt, Sibylle; Rodríguez, Mirta; Sen(de), Aditi; Sen, Ujjwal; Glauber, Roy J.; Lewenstein, Maciej

2011-01-01

Atom counting theory can be used to study the role of thermal noise in quantum phase transitions and to monitor the dynamics of a quantum system. We illustrate this for a strongly correlated fermionic system, which is equivalent to an anisotropic quantum XY chain in a transverse field and can be realized with cold fermionic atoms in an optical lattice. We analyze the counting statistics across the phase diagram in the presence of thermal fluctuations and during its thermalization when the system is coupled to a heat bath. At zero temperature, the quantum phase transition is reflected in the cumulants of the counting distribution. We find that the signatures of the crossover remain visible at low temperature and are obscured with increasing thermal fluctuations. We find that the same quantities may be used to scan the dynamics during the thermalization of the system.

Even-parity resonances with synchrotron radiation from Laser Excited Lithium at 1s^22p State

NASA Astrophysics Data System (ADS)

Huang, Ming-Tie; Wehlitz, Ralf

2010-03-01

Correlated many-body dynamics is still one of the unsolved fundamental problems in physics. Such correlation effects can be most clearly studied in processes involving single atoms for their simplicity.Lithium, being the simplest open shell atom, has been under a lot of study. Most of the studies focused on ground state lithium. However, only odd parity resonances can be populated through single photon (synchrotron radiation) absorption from ground state lithium (1s^22s). Lithium atoms, after being laser excited to the 1s^22p state, allow the study of even parity resonances. We have measured some of the even parity resonances of lithium for resonant energies below 64 eV. A single-mode diode laser is used to excite lithium from 1s^22s ground state to 1s^22p (^2P3/2) state. Photoions resulting from the interaction between the excited lithium and synchrotron radiation were analyzed and collected by an ion time-of-flight (TOF) spectrometer with a Z- stack channel plate detector. The Li^+ ion yield was recorded while scanning the undulator along with the monochromator. The energy scans have been analyzed regarding resonance energies and parameters of the Fano profiles. Our results for the observed resonances will be presented.

Resonant pairing between fermions with unequal masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Shin-Tza; Pao, C.-H.; Yip, S.-K.

We study via mean-field theory the pairing between fermions of different masses, especially at the unitary limit. At equal populations, the thermodynamic properties are identical with the equal mass case provided an appropriate rescaling is made. At unequal populations, for sufficiently light majority species, the system does not phase separate. For sufficiently heavy majority species, the phase separated normal phase have a density larger than that of the superfluid. For atoms in harmonic traps, the density profiles for unequal mass fermions can be drastically different from their equal-mass counterparts.

Dark solitons with Majorana fermions in spin-orbit-coupled Fermi gases.

PubMed

Xu, Yong; Mao, Li; Wu, Biao; Zhang, Chuanwei

2014-09-26

We show that a single dark soliton can exist in a spin-orbit-coupled Fermi gas with a high spin imbalance, where spin-orbit coupling favors uniform superfluids over nonuniform Fulde-Ferrell-Larkin-Ovchinnikov states, leading to dark soliton excitations in highly imbalanced gases. Above a critical spin imbalance, two topological Majorana fermions without interactions can coexist inside a dark soliton, paving a way for manipulating Majorana fermions through controlling solitons. At the topological transition point, the atom density contrast across the soliton suddenly vanishes, suggesting a signature for identifying topological solitons.

Permeability and storage ability of inorganic X12Y12 fullerenes for lithium atom and ion

NASA Astrophysics Data System (ADS)

Munsif, Sajida; Ayub, Khurshid

2018-04-01

In the current study, permeability and storage ability (exohedral and endohedral) of inorganic fullerenes X12Y12 (X = B, Al and Y = N, P) for lithium atom/ion (Li/Li+) is studied theoretically at M05-2X method. The translation of Li/Li+ through Al12P12 nano-cages is not only a kinetically feasible process but also has very high separation ratio in the favor of lithium atom over lithium ion. Adsorption/encapsulation energies of alkali metal on/in nano-cages show strong correlation with the size of the nano-cage. The percent changes in H-L gap for Li+-X12Y12 are about 1-25%, whereas the corresponding changes for Li-X12Y12 are 30-72%.

Nano-scaled top-down of bismuth chalcogenides based on electrochemical lithium intercalation

NASA Astrophysics Data System (ADS)

Chen, Jikun; Zhu, Yingjie; Chen, Nuofu; Liu, Xinling; Sun, Zhengliang; Huang, Zhenghong; Kang, Feiyu; Gao, Qiuming; Jiang, Jun; Chen, Lidong

2011-12-01

A two-step method has been used to fabricate nano-particles of layer-structured bismuth chalcogenide compounds, including Bi2Te3, Bi2Se3, and Bi2Se0.3Te2.7, through a nano-scaled top-down route. In the first step, lithium (Li) atoms are intercalated between the van der Waals bonded quintuple layers of bismuth chalcogenide compounds by controllable electrochemical process inside self-designed lithium ion batteries. And in the second step, the Li intercalated bismuth chalcogenides are subsequently exposed to ethanol, in which process the intercalated Li atoms would explode like atom-scaled bombs to exfoliate original microscaled powder into nano-scaled particles with size around 10 nm. The influence of lithium intercalation speed and amount to three types of bismuth chalcogenide compounds are compared and the optimized intercalation conditions are explored. As to maintain the phase purity of the final nano-particle product, the intercalation lithium amount should be well controlled in Se contained bismuth chalcogenide compounds. Besides, compared with binary bismuth chalcogenide compound, lower lithium intercalation speed should be applied in ternary bismuth chalcogenide compound.

Electron doping through lithium intercalation to interstitial channels in tetrahedrally bonded SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakai, Yuki; Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712; Oshiyama, Atsushi

2015-11-07

We report on first-principles calculations that clarify the effect of lithium atom intercalation into zinc blende 3C-silicon carbide (3C-SiC) on electronic and structural properties. Lithium atoms inside 3C-SiC are found to donate electrons to 3C-SiC that is an indication of a new way of electron doping through the intercalation. The electrons doped into the conduction band interact with lithium cations and reduce the band spacing between the original valence and conduction bands. We have also found that a silicon monovacancy in 3C-SiC promotes the lithium intercalation, showing that the vacancy generation makes SiC as a possible anode material for lithium-ionmore » battery.« less

Atomic physics constraints on the X boson

NASA Astrophysics Data System (ADS)

Jentschura, Ulrich D.; Nándori, István

2018-04-01

Recently, a peak in the light fermion pair spectrum at invariant q2≈(16.7MeV ) 2 has been observed in the bombardment of 7Li by protons. This peak has been interpreted in terms of a protophobic interaction of fermions with a gauge boson (X boson) of invariant mass ≈16.7 MeV which couples mainly to neutrons. High-precision atomic physics experiments aimed at observing the protophobic interaction need to separate the X boson effect from the nuclear-size effect, which is a problem because of the short range of the interaction (11.8 fm), which is commensurate with a "nuclear halo." Here we analyze the X boson in terms of its consequences for both electronic atoms as well as muonic hydrogen and deuterium. We find that the most promising atomic systems where the X boson has an appreciable effect, distinguishable from a finite-nuclear-size effect, are muonic atoms of low and intermediate nuclear charge numbers.

Spin-orbit-coupled Fermi gases of two-electron ytterbium atoms

NASA Astrophysics Data System (ADS)

He, Chengdong; Song, Bo; Haciyev, Elnur; Ren, Zejian; Seo, Bojeong; Zhang, Shanchao; Liu, Xiong-Jun; Jo, Gyu-Boong

2017-04-01

Spin-orbit coupling (SOC) has been realized in bosonic and fermionic atomic gases opening an avenue to novel physics associated with spin-momentum locking. In this talk, we will demonstrate all-optical method coupling two hyperfine ground states of 173Yb fermions through a narrow optical transition 1S0 -> 3P1. An optical AC Stark shift is applied to split the ground hyperfine levels and separate out an effective spin-1/2 subspace from other spin states for the realization of SOC. The spin dephasing dynamics and the asymmetric momentum distribution of the spin-orbit coupled Fermi gas are observed as a hallmark of SOC. The implementation of all-optical SOC for ytterbium fermions should offer a new route to a long-lived spin-orbit coupled Fermi gas and greatly expand our capability in studying novel spin-orbit physics with alkaline-earth-like atoms. Other ongoing experimental works related to SOC will be also discussed. Funded by Croucher Foundation and Research Grants Council (RGC) of Hong Kong (Project ECS26300014, GRF16300215, GRF16311516, and Croucher Innovation Grants); MOST (Grant No. 2016YFA0301604) and NSFC (No. 11574008).

Composite fermion theory for bosonic quantum Hall states on lattices.

PubMed

Möller, G; Cooper, N R

2009-09-04

We study the ground states of the Bose-Hubbard model in a uniform magnetic field, motivated by the physics of cold atomic gases on lattices at high vortex density. Mapping the bosons to composite fermions (CF) leads to the prediction of quantum Hall fluids that have no counterpart in the continuum. We construct trial states for these phases and test numerically the predictions of the CF model. We establish the existence of strongly correlated phases beyond those in the continuum limit and provide evidence for a wider scope of the composite fermion approach beyond its application to the lowest Landau level.

Grassmann phase space methods for fermions. I. Mode theory

NASA Astrophysics Data System (ADS)

Dalton, B. J.; Jeffers, J.; Barnett, S. M.

2016-07-01

In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggest the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. The theory of Grassmann phase space methods for fermions based on separate modes is developed, showing how the distribution function is defined and used to determine quantum correlation functions, Fock state populations and coherences via Grassmann phase space integrals, how the Fokker-Planck equations are obtained and then converted into equivalent Ito equations for stochastic Grassmann variables. The fermion distribution function is an even Grassmann function, and is unique. The number of c-number Wiener increments involved is 2n2, if there are n modes. The situation is somewhat different to the bosonic c-number case where only 2 n Wiener increments are involved, the sign of the drift term in the Ito equation is reversed and the diffusion matrix in the Fokker-Planck equation is anti-symmetric rather than symmetric. The un-normalised B distribution is of particular importance for determining Fock state populations and coherences, and as pointed out by Plimak, Collett and Olsen, the drift vector in its Fokker-Planck equation only depends linearly on the Grassmann variables. Using this key feature we show how the Ito stochastic equations can be solved numerically for finite times in terms of c-number stochastic quantities. Averages of products of Grassmann stochastic variables at the initial time are also involved, but these are determined from the initial conditions for the quantum state. The detailed approach to the numerics is outlined, showing that (apart from standard issues in such numerics) numerical calculations for Grassmann phase space theories of fermion systems could be carried out without needing to represent Grassmann phase space variables on the computer, and only involving processes using c-numbers. We compare our approach to that of Plimak, Collett and Olsen and show that the two approaches differ. As a simple test case we apply the B distribution theory and solve the Ito stochastic equations to demonstrate coupling between degenerate Cooper pairs in a four mode fermionic system involving spin conserving interactions between the spin 1 / 2 fermions, where modes with momenta - k , + k-each associated with spin up, spin down states, are involved.

Electrochemically fabricated polypyrrole-cobalt-oxygen coordination complex as high-performance lithium-storage materials.

PubMed

Guo, Bingkun; Kong, Qingyu; Zhu, Ying; Mao, Ya; Wang, Zhaoxiang; Wan, Meixiang; Chen, Liquan

2011-12-23

Current lithium-ion battery (LIB) technologies are all based on inorganic electrode materials, though organic materials have been used as electrodes for years. Disadvantages such as limited thermal stability and low specific capacity hinder their applications. On the other hand, the transition metal oxides that provide high lithium-storage capacity by way of electrochemical conversion reaction suffer from poor cycling stability. Here we report a novel high-performance, organic, lithium-storage material, a polypyrrole-cobalt-oxygen (PPy-Co-O) coordination complex, with high lithium-storage capacity and excellent cycling stability. Extended X-ray absorption fine structure and Raman spectroscopy and other physical and electrochemical characterizations demonstrate that this coordination complex can be electrochemically fabricated by cycling PPy-coated Co(3)O(4) between 0.0 V and 3.0 V versus Li(+)/Li. Density functional theory (DFT) calculations indicate that each cobalt atom coordinates with two nitrogen atoms within the PPy-Co coordination layer and the layers are connected with oxygen atoms between them. Coordination weakens the C-H bonds on PPy and makes the complex a novel lithium-storage material with high capacity and high cycling stability. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mixtures of bosonic and fermionic atoms in optical lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albus, Alexander; Dipartimento di Fisica, Universita di Salerno, Via S. Allende, I-84081 Baronissi; Illuminati, Fabrizio

2003-08-01

We discuss the theory of mixtures of bosonic and fermionic atoms in periodic potentials at zero temperature. We derive a general Bose-Fermi Hubbard Hamiltonian in a one-dimensional optical lattice with a superimposed harmonic trapping potential. We study the conditions for linear stability of the mixture and derive a mean-field criterion for the onset of a bosonic superfluid transition. We investigate the ground-state properties of the mixture in the Gutzwiller formulation of mean-field theory, and present numerical studies of finite systems. The bosonic and fermionic density distributions and the onset of quantum phase transitions to demixing and to a bosonic Mott-insulatormore » are studied as a function of the lattice potential strength. The existence is predicted of a disordered phase for mixtures loaded in very deep lattices. Such a disordered phase possessing many degenerate or quasidegenerate ground states is related to a breaking of the mirror symmetry in the lattice.« less

Coherent and dissipative transport in a Josephson junction between fermionic superfluids of 6Li atoms

NASA Astrophysics Data System (ADS)

Neri, Elettra; Scazza, Francesco; Roati, Giacomo

2018-04-01

Quantum systems out of equilibrium offer the possibility of understanding intriguing and challenging problems in modern physics. Studying transport properties is not only valuable to unveil fundamental properties of quantum matter but it is also an excellent tool for developing new quantum devices which inherently employ quantum-mechanical effects. In this contribution, we present our experimental studies on quantum transport using ultracold Fermi gases of 6Li atoms. We realize the analogous of a Josephson junction by bisecting fermionic superfluids by a thin optical barrier. We observe coherent dynamics in both the population and in the relative phase between the two reservoirs. For critical parameters, the superfluid dynamics exhibits both coherent and resistive flow due to phase-slippage events manifesting as vortices propagating into the bulk. We uncover also a regime of strong dissipation where the junction operation is irreversibly affected by vortex proliferation. Our studies open new directions for investigating dissipation and superfluid transport in strongly correlated fermionic systems.

Scattering length of composite bosons in the three-dimensional BCS-BEC crossover

NASA Astrophysics Data System (ADS)

Salasnich, L.; Bighin, G.

2015-03-01

We study the zero-temperature grand potential of a three-dimensional superfluid made of ultracold fermionic alkali-metal atoms in the BCS-BEC crossover. In particular, we analyze the zero-point energy of both fermionic single-particle excitations and bosonic collective excitations. The bosonic elementary excitations, which are crucial to obtain a reliable equation of state in the Bose-Einstein condensate regime, are obtained with a low-momentum expansion up to the forth order of the quadratic (Gaussian) action of the fluctuating pairing field. By performing a cutoff regularization and renormalization of Gaussian fluctuations, we find that the scattering length aB of composite bosons, bound states of fermionic pairs, is given by aB=(2 /3 ) aF , where aF is the scattering length of fermions.

Birefringent breakup of Dirac fermions on a square optical lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kennett, Malcolm P.; Komeilizadeh, Nazanin; Kaveh, Kamran

2011-05-15

We introduce a lattice model for fermions in a spatially periodic magnetic field that also has spatially periodic hopping amplitudes. We discuss how this model might be realized with cold atoms in an artificial magnetic field on a square optical lattice. When there is an average flux of half a flux quantum per plaquette, the spectrum of low-energy excitations can be described by massless Dirac fermions in which the usually doubly degenerate Dirac cones split into cones with different ''speeds of light.'' These gapless birefringent Dirac fermions arise because of broken chiral symmetry in the kinetic energy term of themore » effective low-energy Hamiltonian. We characterize the effects of various perturbations to the low-energy spectrum, including staggered potentials, interactions, and domain-wall topological defects.« less

Strongly Interacting Fermi Gases: Non-Equilibrium Dynamics and Dimensional Crossover

NASA Astrophysics Data System (ADS)

Sommer, Ariel

2015-05-01

Strongly interacting atomic Fermi gases near Feshbach resonances give access to a rich variety of phenomena in many-fermion physics and superfluidity. This flexible and microscopically well-characterized system provides a pristine platform in which to benchmark many-body theories. I will describe three experiments on gases of fermionic 6Li atoms. In the first experiment, we study spin transport in the return to equilibrium after a spin excitation. From the dynamics near equilibrium, we obtain spin transport coefficients over a range of temperatures and interaction strengths, and observe quantum-limited spin diffusion at unitarity. In separate experiments, we study the effect of dimensionality on the binding of pairs of fermions. We tune the system from three to two dimensions by adjusting the strength of a one-dimensional optical lattice, and measure the binding energy of fermion pairs using radio-frequency spectroscopy. In a third set of experiments, we study nonlinear excitations of a fermionic superfluid. Imprinting a phase jump on the superfluid order parameter causes a long-lived, localized density depletion that oscillates through the cloud. We measure the oscillation period and find that it corresponds to an emergent particle with an effective mass of up to several hundred times the bare mass. This excitation has been identified as a solitonic vortex that results from the decay of a planar soliton. This work was performed at the Massachusetts Institute of Technology under the supervision of Prof. Martin Zwierlein.

Emergent pseudospin-1 Maxwell fermions with a threefold degeneracy in optical lattices

NASA Astrophysics Data System (ADS)

Zhu, Yan-Qing; Zhang, Dan-Wei; Yan, Hui; Xing, Ding-Yu; Zhu, Shi-Liang

2017-09-01

The discovery of relativistic spin-1/2 fermions such as Dirac and Weyl fermions in condensed-matter or artificial systems opens a new era in modern physics. An interesting but rarely explored question is whether other relativistic spinal excitations could be realized with artificial systems. Here, we construct two- and three-dimensional tight-binding models realizable with cold fermionic atoms in optical lattices, where the low energy excitations are effectively described by the spin-1 Maxwell equations in the Hamiltonian form. These relativistic (linear dispersion) excitations with unconventional integer pseudospin, beyond the Dirac-Weyl-Majorana fermions, are an exotic kind of fermions named as Maxwell fermions. We demonstrate that the systems have rich topological features. For instance, the threefold degenerate points called Maxwell points may have quantized Berry phases and anomalous quantum Hall effects with spin-momentum locking may appear in topological Maxwell insulators in the two-dimensional lattices. In three dimensions, Maxwell points may have nontrivial monopole charges of ±2 with two Fermi arcs connecting them, and the merging of the Maxwell points leads to topological phase transitions. Finally, we propose realistic schemes for realizing the model Hamiltonians and detecting the topological properties of the emergent Maxwell quasiparticles in optical lattices.

Molecular Beam Epitaxy Growth of High Crystalline Quality LiNbO3

NASA Astrophysics Data System (ADS)

Tellekamp, M. Brooks; Shank, Joshua C.; Goorsky, Mark S.; Doolittle, W. Alan

2016-12-01

Lithium niobate is a multi-functional material with wide reaching applications in acoustics, optics, and electronics. Commercial applications for lithium niobate require high crystalline quality currently limited to bulk and ion sliced material. Thin film lithium niobate is an attractive option for a variety of integrated devices, but the research effort has been stagnant due to poor material quality. Both lattice matched and mismatched lithium niobate are grown by molecular beam epitaxy and studied to understand the role of substrate and temperature on nucleation conditions and material quality. Growth on sapphire produces partially coalesced columnar grains with atomically flat plateaus and no twin planes. A symmetric rocking curve shows a narrow linewidth with a full width at half-maximum (FWHM) of 8.6 arcsec (0.0024°), which is comparable to the 5.8 arcsec rocking curve FWHM of the substrate, while the film asymmetric rocking curve is 510 arcsec FWHM. These values indicate that the individual grains are relatively free of long-range disorder detectable by x-ray diffraction with minimal measurable tilt and twist and represents the highest structural quality epitaxial material grown on lattice mismatched sapphire without twin planes. Lithium niobate is also grown on lithium tantalate producing high quality coalesced material without twin planes and with a symmetric rocking curve of 193 arcsec, which is nearly equal to the substrate rocking curve of 194 arcsec. The surface morphology of lithium niobate on lithium tantalate is shown to be atomically flat by atomic force microscopy.

Polymer Energy Rechargeable System Battery Being Developed

NASA Technical Reports Server (NTRS)

Manzo, Michelle A.

2003-01-01

Long description. Illustrations of discotic liquid crystals, rod-coil polymers, lithium-ion conducting channel dilithium phthalocyanine (Li2Pc) from top and side, novel star polyethylene oxide structures, composite polyethylene oxide materials (showing polyethylene oxide + lithium salt, carbon atoms and oxygen atoms), homopolyrotaxanes, and diblock copolymers In fiscal year 2000, NASA established a program to develop the next generation, lithium-based, polymer electrolyte batteries for aerospace applications. The goal of this program, known as Polymer Energy Rechargeable Systems (PERS), is to develop a space-qualified, advanced battery system embodying polymer electrolyte and lithium-based electrode technologies and to establish world-class domestic manufacturing capabilities for advanced batteries with improved performance characteristics that address NASA s future aerospace battery requirements.

Tailoring Dirac Fermions in Molecular Graphene

NASA Astrophysics Data System (ADS)

Gomes, Kenjiro K.; Mar, Warren; Ko, Wonhee; Camp, Charlie D.; Rastawicki, Dominik K.; Guinea, Francisco; Manoharan, Hari C.

2012-02-01

The dynamics of electrons in solids is tied to the band structure created by a periodic atomic potential. The design of artificial lattices, assembled through atomic manipulation, opens the door to engineer electronic band structure and to create novel quantum states. We present scanning tunneling spectroscopic measurements of a nanoassembled honeycomb lattice displaying a Dirac fermion band structure. The artificial lattice is created by atomic manipulation of single CO molecules with the scanning tunneling microscope on the surface of Cu(111). The periodic potential generated by the assembled CO molecules reshapes the band structure of the two-dimensional electron gas, present as a surface state of Cu(111), into a ``molecular graphene'' system. We create local defects in the lattice to observe the quasiparticle interference patterns that unveil the underlying band structure. We present direct comparison between the tunneling data, first-principles calculations of the band structure, and tight-binding models.

Realizing universal Majorana fermionic quantum computation

NASA Astrophysics Data System (ADS)

Wu, Ya-Jie; He, Jing; Kou, Su-Peng

2014-08-01

Majorana fermionic quantum computation (MFQC) was proposed by S. B. Bravyi and A. Yu. Kitaev [Ann. Phys. (NY) 298, 210 (2002), 10.1006/aphy.2002.6254], who indicated that a (nontopological) fault-tolerant quantum computer built from Majorana fermions may be more efficient than that built from distinguishable two-state systems. However, until now scientists have not known how to realize a MFQC in a physical system. In this paper we propose a possible realization of MFQC. We find that the end of a line defect of a p-wave superconductor or superfluid in a honeycomb lattice traps a Majorana zero mode, which becomes the starting point of MFQC. Then we show how to manipulate Majorana fermions to perform universal MFQC, which possesses possibilities for high-level local controllability through individually addressing the quantum states of individual constituent elements by using timely cold-atom technology.

Quantum phases of spinful Fermi gases in optical cavities

NASA Astrophysics Data System (ADS)

Colella, E.; Citro, R.; Barsanti, M.; Rossini, D.; Chiofalo, M.-L.

2018-04-01

We explore the quantum phases emerging from the interplay between spin and motional degrees of freedom of a one-dimensional quantum fluid of spinful fermionic atoms, effectively interacting via a photon-mediating mechanism with tunable sign and strength g , as it can be realized in present-day experiments with optical cavities. We find the emergence, in the very same system, of spin- and atomic-density wave ordering, accompanied by the occurrence of superfluidity for g >0 , while cavity photons are seen to drive strong correlations at all g values, with fermionic character for g >0 , and bosonic character for g <0 . Due to the long-range nature of interactions, to infer these results we combine mean-field and exact-diagonalization methods supported by bosonization analysis.

Methods for using atomic layer deposition to produce a film for solid state electrolytes and protective electrode coatings for lithium batteries

DOEpatents

Elam, Jeffrey W.; Meng, Xiangbo

2018-03-13

A method for using atomic layer deposition to produce a film configured for use in an anode, cathode, or solid state electrolyte of a lithium-ion battery or a lithium-sulfur battery. The method includes repeating a cycle for a predetermined number of times in an inert atmosphere. The cycle includes exposing a substrate to a first precursor, purging the substrate with inert gas, exposing the substrate to a second precursor, and purging the substrate with inert gas. The film is a metal sulfide.

In-vivo measurement of lithium in the brain and other organs

DOEpatents

Vartsky, D.; Wielopolski, L.; LoMonte, A.F.; Ellis, K.J.; Cohn, S.H.

1983-08-26

An in-vivo method of measurement of the amount of lithium present in tissue and organs of breathing animals is described. The basis for the technique is the lithium-1 neutron interaction - /sup 6/Li(n,..cap alpha..)T. The lithium is irradiated with thermal neutrons to produce tritium atoms. The tritium diffuses into the tissues and is exhaled. By measuring the amount of tritium exhaled, the lithium concentration in the irradiated zone is determined.

Higher first Chern numbers in one-dimensional Bose-Fermi mixtures

NASA Astrophysics Data System (ADS)

Knakkergaard Nielsen, Kristian; Wu, Zhigang; Bruun, G. M.

2018-02-01

We propose to use a one-dimensional system consisting of identical fermions in a periodically driven lattice immersed in a Bose gas, to realise topological superfluid phases with Chern numbers larger than 1. The bosons mediate an attractive induced interaction between the fermions, and we derive a simple formula to analyse the topological properties of the resulting pairing. When the coherence length of the bosons is large compared to the lattice spacing and there is a significant next-nearest neighbour hopping for the fermions, the system can realise a superfluid with Chern number ±2. We show that this phase is stable in a large region of the phase diagram as a function of the filling fraction of the fermions and the coherence length of the bosons. Cold atomic gases offer the possibility to realise the proposed system using well-known experimental techniques.

Cooling a band insulator with a metal: fermionic superfluid in a dimerized holographic lattice.

PubMed

Haldar, Arijit; Shenoy, Vijay B

2014-10-17

A cold atomic realization of a quantum correlated state of many fermions on a lattice, eg. superfluid, has eluded experimental realization due to the entropy problem. Here we propose a route to realize such a state using holographic lattice and confining potentials. The potentials are designed to produces a band insulating state (low heat capacity) at the trap center, and a metallic state (high heat capacity) at the periphery. The metal "cools" the central band insulator by extracting out the excess entropy. The central band insulator can be turned into a superfluid by tuning an attractive interaction between the fermions. Crucially, the holographic lattice allows the emergent superfluid to have a high transition temperature - even twice that of the effective trap temperature. The scheme provides a promising route to a laboratory realization of a fermionic lattice superfluid, even while being adaptable to simulate other many body states.

Generating atomically sharp p -n junctions in graphene and testing quantum electron optics on the nanoscale

NASA Astrophysics Data System (ADS)

Bai, Ke-Ke; Zhou, Jiao-Jiao; Wei, Yi-Cong; Qiao, Jia-Bin; Liu, Yi-Wen; Liu, Hai-Wen; Jiang, Hua; He, Lin

2018-01-01

Creation of high-quality p -n junctions in graphene monolayer is vital in studying many exotic phenomena of massless Dirac fermions. However, even with the fast progress of graphene technology for more than ten years, it remains conspicuously difficult to generate nanoscale and atomically sharp p -n junctions in graphene. Here, we realized nanoscale p -n junctions with atomically sharp boundaries in graphene monolayer by using monolayer vacancy island of Cu surface. The generated sharp p -n junctions with the height as high as 660 meV isolate the graphene above the Cu monolayer vacancy island as nanoscale graphene quantum dots (GQDs) in a continuous graphene sheet. Massless Dirac fermions are confined by the p -n junctions for a finite time to form quasibound states in the GQDs. By using scanning tunneling microscopy, we observe resonances of quasibound states in the GQDs with various sizes and directly visualize effects of geometries of the GQDs on the quantum interference patterns of the quasibound states, which allow us to test the quantum electron optics based on graphene in atomic scale.

Probing Electronic States of Magnetic Semiconductors Using Atomic Scale Microscopy & Spectroscopy

DTIC Science & Technology

2013-12-01

the metal- insulator transition, a feature that has long been predicted theoretically. We showed that a similar picture is at play in magnetic doping of... magnetic atoms on the surface of a superconductor can be used as a versatile platform for creating a topological superconductor . These initial...topological superconductivity and Majorana fermions in a chain of magnetic atoms on the surface of a superconductor Students and postdocs supported

Atomic-scale visualization of surface-assisted orbital order

PubMed Central

Kim, Howon; Yoshida, Yasuo; Lee, Chi-Cheng; Chang, Tay-Rong; Jeng, Horng-Tay; Lin, Hsin; Haga, Yoshinori; Fisk, Zachary; Hasegawa, Yukio

2017-01-01

Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. We report a first, real-space, imaging of a surface-assisted orbital ordered structure on a cobalt-terminated surface of the well-studied heavy fermion compound CeCoIn5. Within small tip-sample distances, the cobalt atoms on a cleaved (001) surface take on dumbbell shapes alternatingly aligned in the [100] and [010] directions in scanning tunneling microscopy topographies. First-principles calculations reveal that this structure is a consequence of the staggered dxz-dyz orbital order triggered by enhanced on-site Coulomb interaction at the surface. This so far overlooked surface-assisted orbital ordering may prevail in transition metal oxides, heavy fermion superconductors, and other materials. PMID:28948229

Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

NASA Astrophysics Data System (ADS)

Kantian, A.; Langer, S.; Daley, A. J.

2018-02-01

We show how experimentally available bilayer lattice systems can be used to prepare quantum many-body states with exceptionally low entropy in one layer, by dynamically disentangling the two layers. This disentangling operation moves one layer—subsystem A —into a regime where excitations in A develop a single-particle gap. As a result, this operation maps directly to cooling for subsystem A , with entropy being shuttled to the other layer. For both bosonic and fermionic atoms, we study the corresponding dynamics showing that disentangling can be realized cleanly in ongoing experiments. The corresponding entanglement entropies are directly measurable with quantum gas microscopes, and, as a tool for producing lower-entropy states, this technique opens a range of applications beginning with simplifying production of magnetically ordered states of bosons and fermions.

Thermalization after an interaction quench in the Hubbard model.

PubMed

Eckstein, Martin; Kollar, Marcus; Werner, Philipp

2009-07-31

We use nonequilibrium dynamical mean-field theory to study the time evolution of the fermionic Hubbard model after an interaction quench. Both in the weak-coupling and in the strong-coupling regime the system is trapped in quasistationary states on intermediate time scales. These two regimes are separated by a sharp crossover at U(c)dyn=0.8 in units of the bandwidth, where fast thermalization occurs. Our results indicate a dynamical phase transition which should be observable in experiments on trapped fermionic atoms.

Digital lattice gauge theories

NASA Astrophysics Data System (ADS)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a general scheme for a digital construction of lattice gauge theories with dynamical fermions. In this method, the four-body interactions arising in models with 2 +1 dimensions and higher are obtained stroboscopically, through a sequence of two-body interactions with ancillary degrees of freedom. This yields stronger interactions than the ones obtained through perturbative methods, as typically done in previous proposals, and removes an important bottleneck in the road towards experimental realizations. The scheme applies to generic gauge theories with Lie or finite symmetry groups, both Abelian and non-Abelian. As a concrete example, we present the construction of a digital quantum simulator for a Z3 lattice gauge theory with dynamical fermionic matter in 2 +1 dimensions, using ultracold atoms in optical lattices, involving three atomic species, representing the matter, gauge, and auxiliary degrees of freedom, that are separated in three different layers. By moving the ancilla atoms with a proper sequence of steps, we show how we can obtain the desired evolution in a clean, controlled way.

Probing density and spin correlations in two-dimensional Hubbard model with ultracold fermions

NASA Astrophysics Data System (ADS)

Chan, Chun Fai; Drewes, Jan Henning; Gall, Marcell; Wurz, Nicola; Cocchi, Eugenio; Miller, Luke; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

2017-04-01

Quantum gases of interacting fermionic atoms in optical lattices is a promising candidate to study strongly correlated quantum phases of the Hubbard model such as the Mott-insulator, spin-ordered phases, or in particular d-wave superconductivity. We experimentally realise the two-dimensional Hubbard model by loading a quantum degenerate Fermi gas of 40 K atoms into a three-dimensional optical lattice geometry. High-resolution absorption imaging in combination with radiofrequency spectroscopy is applied to spatially resolve the atomic distribution in a single 2D layer. We investigate in local measurements of spatial correlations in both the density and spin sector as a function of filling, temperature and interaction strength. In the density sector, we compare the local density fluctuations and the global thermodynamic quantities, and in the spin sector, we observe the onset of non-local spin correlation, signalling the emergence of the anti-ferromagnetic phase. We would report our recent experimental endeavours to investigate further down in temperature in the spin sector.

Laser spectroscopic study of the Rydberg state structure of atomic lithium

NASA Astrophysics Data System (ADS)

Ballard, M. Kent

1998-07-01

Pulsed laser induced fluorescence spectroscopy was performed on both isotopic species of atomic lithium. Nonresonant multiphoton excitation spectra were recorded. The laser induced fluorescence of the lithium vapor was measured following excitation with a tunable, pulsed, nanosecond laser. Both two- and three-photon allowed transitions were observed resulting in four different transition series originating from the 22S and 22P levels, the latter likely originating from photodissociation products of the lithium dimer, Li2. Forty-seven identifiable transitions were assigned for 6Li. Evidence for a parity forbidden multiphoton transition is also present. For 7Li, fifty-three identifiable transitions were assigned including an additional series of parity forbidden multiphoton transitions. Laser polarization and power dependencies were measured and found to be consistent with the multiphoton transition probabilities. Due to the intense laser fields needed to produce the nonresonant multiphoton excitations, the lithium vapor was subjected to the laser induced ac Stark effect. The Autler-Townes doublets observed for the nF gets 2P transition series were found to exhibit normal asymmetry. The observed asymmetrical Autler-Townes profiles are explained in terms of the two-level and the three-level atomic systems which are based on different excitation schemes. A new computerized data acquisition system was developed as well as associated computer programs needed to analyze spectra.

Atomic Iron Catalysis of Polysulfide Conversion in Lithium-Sulfur Batteries.

PubMed

Liu, Zhenzhen; Zhou, Lei; Ge, Qi; Chen, Renjie; Ni, Mei; Utetiwabo, Wellars; Zhang, Xiaoling; Yang, Wen

2018-06-13

Lithium-sulfur batteries have been regarded as promising candidates for energy storage because of their high energy density and low cost. It is a main challenge to develop long-term cycling stability battery. Here, a catalytic strategy is presented to accelerate reversible transformation of sulfur and its discharge products in lithium-sulfur batteries. This is achieved with single-atomic iron active sites in porous nitrogen-doped carbon, prepared by polymerizing and carbonizing diphenylamine in the presence of iron phthalocyanine and a hard template. The Fe-PNC/S composite electrode exhibited a high discharge capacity (427 mAh g -1 ) at a 0.1 C rate after 300 cycles with the Columbic efficiency of above 95.6%. Besides, the electrode delivers much higher capacity of 557.4 mAh g -1 at 0.5 C over 300 cycles. Importantly, the Fe-PCN/S has a smaller phase nucleation overpotential of polysulfides than nitrogen-doped carbon alone for the formation of nanoscale of Li 2 S as revealed by ex situ SEM, which enhance lithium-ion diffusion in Li 2 S, and therefore a high rate performance and remarkable cycle life of Li-sulfur batteries were achieved. Our strategy paves a new way for polysulfide conversion with atomic iron catalysis to exploit high-performance lithium-sulfur batteries.

Cooling schemes for two-component fermions in layered optical lattices

NASA Astrophysics Data System (ADS)

Goto, Shimpei; Danshita, Ippei

2017-12-01

Recently, a cooling scheme for ultracold atoms in a bilayer optical lattice has been proposed (A. Kantian et al., arXiv:1609.03579). In their scheme, the energy offset between the two layers is increased dynamically such that the entropy of one layer is transferred to the other layer. Using the full-Hilbert-space approach, we compute cooling dynamics subjected to the scheme in order to show that their scheme fails to cool down two-component fermions. We develop an alternative cooling scheme for two-component fermions, in which the spin-exchange interaction of one layer is significantly reduced. Using both full-Hilbert-space and matrix-product-state approaches, we find that our scheme can decrease the temperature of the other layer by roughly half.

Laser cooling at resonance

NASA Astrophysics Data System (ADS)

Yudkin, Yaakov; Khaykovich, Lev

2018-05-01

We show experimentally that three-dimensional laser cooling of lithium atoms on the D2 line is possible when the laser light is tuned exactly to resonance with the dominant atomic transition. Qualitatively, it can be understood by applying simple Doppler cooling arguments to the specific hyperfine structure of the excited state of lithium atoms, which is both dense and inverted. However, to build a quantitative theory, we must resolve to a full model which takes into account both the entire atomic structure of all 24 Zeeman sublevels and the laser light polarization. Moreover, by means of Monte Carlo simulations, we show that coherent processes play an important role in showing consistency between the theory and the experimental results.

Strong Photoassociation in Ultracold Fermions

NASA Astrophysics Data System (ADS)

Jing, Li; Jamison, Alan; Rvachov, Timur; Ebadi, Sepher; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

2016-05-01

Despite many studies there are still open questions about strong photoassociation in ultracold gases. Photoassociation occurs only at short range and thus can be used as a tool to probe and control the two-body correlation function in an interacting many-body system and to engineer Hamiltonians using dissipation. We propose the possibility to slow down decoherence by photoassociation through the quantum Zeno effect. This can realized by shining strong photoassociation light on the superposition of the lowest two hyperfine states of Lithium 6. NSF, ARO-MURI, Samsung, NSERC.

Classical subharmonic resonances in microwave ionization of lithium Rydberg atoms

NASA Astrophysics Data System (ADS)

Noel, Michael W.; Griffith, W. M.; Gallagher, T. F.

2000-12-01

We have studied the ionization of lithium Rydberg atoms by pulsed microwave fields in the regime in which the microwave frequency is equal to or a subharmonic of the classical Kepler frequency of the two-body Coulomb problem. We have observed a series of resonances where the atom is relatively stable against ionization. The resonances are similar to those seen previously in hydrogen, but with significant quantitative differences. We also present measurements of the distribution of states that remain bound after the microwave interaction for initial states near one of the classical subharmonic resonances.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dutta, S.; Saha, J. K.; Chandra, R.

The Rayleigh-Ritz variational technique with a Hylleraas basis set is being tested for the first time to estimate the structural modifications of a lithium atom embedded in a weakly coupled plasma environment. The Debye-Huckel potential is used to mimic the weakly coupled plasma environment. The wave functions for both the helium-like lithium ion and the lithium atom are expanded in the explicitly correlated Hylleraas type basis set which fully takes care of the electron-electron correlation effect. Due to the continuum lowering under plasma environment, the ionization potential of the system gradually decreases leading to the destabilization of the atom. Themore » excited states destabilize at a lower value of the plasma density. The estimated ionization potential agrees fairly well with the few available theoretical estimates. The variation of one and two particle moments, dielectric susceptibility and magnetic shielding constant, with respect to plasma density is also been discussed in detail.« less

Heteroaromatic-based electrolytes for lithium and lithium-ion batteries

DOEpatents

Cheng, Gang; Abraham, Daniel P.

2017-04-18

The present invention provides an electrolyte for lithium and/or lithium-ion batteries comprising a lithium salt in a liquid carrier comprising heteroaromatic compound including a five-membered or six-membered heteroaromatic ring moiety selected from the group consisting of a furan, a pyrazine, a triazine, a pyrrole, and a thiophene, the heteroaromatic ring moiety bearing least one carboxylic ester or carboxylic anhydride substituent bound to at least one carbon atom of the heteroaromatic ring. Preferred heteroaromatic ring moieties include pyridine compounds, pyrazine compounds, pyrrole compounds, furan compounds, and thiophene compounds.

Long-lived trimers in a quasi-two-dimensional Fermi system

NASA Astrophysics Data System (ADS)

Laird, Emma K.; Kirk, Thomas; Parish, Meera M.; Levinsen, Jesper

2018-04-01

We consider the problem of three distinguishable fermions confined to a quasi-two-dimensional (quasi-2D) geometry, where there is a strong harmonic potential in one direction. We go beyond previous theoretical work and investigate the three-body bound states (trimers) for the case where the two-body short-range interactions between fermions are unequal. Using the scattering parameters from experiments on ultracold 6Li atoms, we calculate the trimer spectrum throughout the crossover from two to three dimensions. We find that the deepest Efimov trimer in the 6Li system is unaffected by realistic quasi-2D confinements, while the first excited trimer smoothly evolves from a three-dimensional-like Efimov trimer to an extended 2D-like trimer as the attractive interactions are decreased. We furthermore compute the excited trimer wave function and quantify the stability of the trimer against decay into a dimer and an atom by determining the probability that three fermions approach each other at short distances. Our results indicate that the lifetime of the trimer can be enhanced by at least an order of magnitude in the quasi-2D geometry, thus opening the door to realizing long-lived trimers in three-component Fermi gases.

Self-Consistent-Field Calculation on Lithium Hydride for Undergraduates.

ERIC Educational Resources Information Center

Rioux, Frank; Harriss, Donald K.

1980-01-01

Describes a self-consistent-field-linear combination of atomic orbitals-molecular orbital calculation on the valence electrons of lithium hydride using the method of Roothaan. This description is intended for undergraduate physics students.

Ion beam promoted lithium absorption in glassy polymeric carbon

NASA Astrophysics Data System (ADS)

Ila, D.; Zimmerman, R. L.; Jenkins, G. M.; Maleki, H.; Poker, D. B.

1995-12-01

Glassy Polymeric Carbon (GPC) samples prepared from a precursor possess accessible pore volume that depends on the heat treatment temperature. We have shown that lithium percolates without diffusion into the accessible pores of GPC samples immersed in a molten lithium salt bath at 700°C. Ion bombardment with 10 MeV Au atoms increases the total pore volume available for lithium occupation even for samples normally impermeable to lithium. The lithium concentration depth profile is measured using Li7(p,2α) nuclear reaction analysis. We will report on lithium percolation into GPC prepared at temperatures between 500°C and 1000°C and activated by a 10 MeV gold ion bombardment.

First measurements of the index of refraction of gases for lithium atomic waves.

PubMed

Jacquey, M; Büchner, M; Trénec, G; Vigué, J

2007-06-15

We report the first measurements of the index of refraction of gases for lithium waves. Using an atom interferometer, we have measured the real and imaginary parts of the index of refraction n for argon, krypton, and xenon as a function of the gas density for several velocities of the lithium beam. The linear dependence of (n-1) with the gas density is well verified. The total collision cross section deduced from the imaginary part of (n-1) is in very good agreement with traditional measurements of this quantity. Finally, the real and imaginary parts of (n-1) and their ratio rho exhibit glory oscillations, in good agreement with calculations.

Reaction between Lithium Anode and Polysulfide Ions in a Lithium-Sulfur Battery

DOE PAGES

Zheng, Dong; Yang, Xiao-Qing; Qu, Deyang

2016-08-18

Here, the reaction between polysulfides and a lithium anode in a Li–S battery was examined using HPLC. The results demonstrated that the polysulfide species with six sulfur atoms or more were reactive with regard to lithium metal. Although the reaction can be greatly inhibited by the addition of LiNO 3 in the electrolyte, LiNO 3 cannot form a stable protection layer on the Li anode to prevent the reaction during storage.

Reaction between Lithium Anode and Polysulfide Ions in a Lithium-Sulfur Battery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Dong; Yang, Xiao-Qing; Qu, Deyang

Here, the reaction between polysulfides and a lithium anode in a Li–S battery was examined using HPLC. The results demonstrated that the polysulfide species with six sulfur atoms or more were reactive with regard to lithium metal. Although the reaction can be greatly inhibited by the addition of LiNO 3 in the electrolyte, LiNO 3 cannot form a stable protection layer on the Li anode to prevent the reaction during storage.

Lithium/organosulfur redox cell having protective solid electrolyte barrier formed on anode and method of making same

DOEpatents

De Jonghe, Lutgard C.; Visco, Steven J.; Liu, Meilin; Mailhe, Catherine C.

1990-01-01

A lithium/organosulfur redox cell is disclosed which comprises a solid lium anode, a liquid organosulfur cathode, and a barrier layer formed adjacent a surface of the solid lithium anode facing the liquid organosulfur cathode consisting of a reaction product of the lithium anode with the organosulfur cathode. The organosulfur cathode comprises a material having the formula (R(S).sub.y).sub.N where y=1 to 6, n=2 to 20 and R is one or more different aliphatic or aromatic organic moieties having 1 to 20 carbon atoms, which may include one or more oxygen, sulfur, nitrogen, or fluorine atoms associated with the chain when R comprises an aliphatic chain, wherein the linear chain may be linear or branched, saturated or unsaturated, and wherein either the aliphatic chain or the aromatic ring may have substituted groups thereon.

Spontaneous symmetry breaking by double lithium adsorption in polyacenes

NASA Astrophysics Data System (ADS)

Ortiz, Yenni. P.; Seligman, Thomas H.

2010-12-01

We show that adsorption of one lithium atom to polyacenes, i.e. chains of linearly fused benzene rings, will cause such chains to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this deformation is dramatically enhanced despite the fact that a symmetric configuration seems possible. We argue, that this may be due to an instability of the Jahn-Teller type possibly indeed to a Peierls instability.

Spontaneous symmetry breaking by double lithium adsorption in polyacenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ortiz, Yenni. P.; Seligman, Thomas H.; Centro Internacional de Ciencias, Cuernavaca, Morelos

2010-12-23

We show that adsorption of one lithium atom to polyacenes, i.e. chains of linearly fused benzene rings, will cause such chains to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this deformation is dramatically enhanced despite the fact that a symmetric configuration seems possible. We argue, that this may be due to an instability of the Jahn-Teller type possibly indeed to a Peierls instability.

PRODUCTION OF TRITIUM

DOEpatents

Jenks, G.H.; Shapiro, E.M.; Elliott, N.; Cannon, C.V.

1963-02-26

This invention relates to a process for the production of tritium by subjecting comminuted solid lithium fluoride containing the lithium isotope of atomic mass number 6 to neutron radiation in a self-sustaining neutronic reactor. The lithium fiuoride is heated to above 450 deg C. in an evacuated vacuum-tight container during radiation. Gaseous radiation products are withdrawn and passed through a palladium barrier to recover tritium. (AEC)

Fermion superfluid with hybridized s- and p-wave pairings

NASA Astrophysics Data System (ADS)

Zhou, LiHong; Yi, Wei; Cui, XiaoLing

2017-12-01

Ever since the pioneering work of Bardeen, Cooper and Schrieffer in the 1950s, exploring novel pairing mechanisms for fermion superfluids has become one of the central tasks in modern physics. Here, we investigate a new type of fermion superfluid with hybridized s- and p-wave pairings in an ultracold spin-1/2 Fermi gas. Its occurrence is facilitated by the co-existence of comparable s- and p-wave interactions, which is realizable in a two-component 40K Fermi gas with close-by s- and p-wave Feshbach resonances. The hybridized superfluid state is stable over a considerable parameter region on the phase diagram, and can lead to intriguing patterns of spin densities and pairing fields in momentum space. In particular, it can induce a phase-locked p-wave pairing in the fermion species that has no p-wave interactions. The hybridized nature of this novel superfluid can also be confirmed by measuring the s- and p-wave contacts, which can be extracted from the high-momentum tail of the momentum distribution of each spin component. These results enrich our knowledge of pairing superfluidity in Fermi systems, and open the avenue for achieving novel fermion superfluids with multiple partial-wave scatterings in cold atomic gases.

High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li2M3S4 (M=Pd, Pt)

NASA Astrophysics Data System (ADS)

Heymann, Gunter; Niehaus, Oliver; Krüger, Hannes; Selter, Philipp; Brunklaus, Gunther; Pöttgen, Rainer

2016-10-01

The new lithium transition-metal sulfides Li2M3S4 (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P21/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li2Pd3S4 and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li2Pt3S4. The crystal structures are built up from two distinct Pd/Pt sites, one of which is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS4/PtS4 units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS4/PtS4 units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li2M3S4 (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu2Pd3Se4 and chrisstanleyite, Ag2Pd3Se4, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state 7Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites.

Determination of lithium isotopes at natural abundance levels by atomic absorption spectrometry

USGS Publications Warehouse

Meier, A.L.

1982-01-01

The relationships of the absorption of 6Li and 7Li hollow cathode lamp emissions are used to determine lithium isotopic composition in the natural abundance range of geologic materials. Absorption was found to have a nonlinear dependence upon total lithium concentration and isotopic composition. A method using nonlinear equations to describe the relationship of the absorption of 6Li and 7Li lamp radiation is proposed as a means of calculating isotopic composition that is independent of total lithium concentration.

Potential energy surfaces of the low-lying electronic states of the Li + LiCs system

NASA Astrophysics Data System (ADS)

Jasik, P.; Kilich, T.; Kozicki, J.; Sienkiewicz, J. E.

2018-03-01

Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces of the Li2Cs molecule in the global minimum are investigated. Dimer-atom interactions are found to be strongly attractive and may be important in the experiments, particularly involving cold alkali polar dimers.

Tunneling of Two Interacting Fermions

NASA Astrophysics Data System (ADS)

Ishmukhamedov, Ilyas; Ishmukhamedov, Altay

2018-04-01

We consider two interacting atoms subject to a one-dimensional anharmonic trap and magnetic field gradient. This system has been recently investigated by the Heidelberg group in the experiment on two 6Li atoms. In the present paper the tunneling of two cold 6Li atoms, initially prepared in the center-of-mass and relative motion excited state, is explored and full time-dependent simulation of the tunneling dynamics is performed. The dynamics is analyzed for the interatomic coupling strength ranging from strong attraction to strong repulsion.

In Situ Atom Probe Deintercalation of Lithium-Manganese-Oxide.

PubMed

Pfeiffer, Björn; Maier, Johannes; Arlt, Jonas; Nowak, Carsten

2017-04-01

Atom probe tomography is routinely used for the characterization of materials microstructures, usually assuming that the microstructure is unaltered by the analysis. When analyzing ionic conductors, however, gradients in the chemical potential and the electric field penetrating dielectric atom probe specimens can cause significant ionic mobility. Although ionic mobility is undesirable when aiming for materials characterization, it offers a strategy to manipulate materials directly in situ in the atom probe. Here, we present experimental results on the analysis of the ionic conductor lithium-manganese-oxide with different atom probe techniques. We demonstrate that, at a temperature of 30 K, characterization of the materials microstructure is possible without measurable Li mobility. Also, we show that at 298 K the material can be deintercalated, in situ in the atom probe, without changing the manganese-oxide host structure. Combining in situ atom probe deintercalation and subsequent conventional characterization, we demonstrate a new methodological approach to study ionic conductors even in early stages of deintercalation.

Satellite Charge Control with Lithium Ion Source and Electron Emission

DTIC Science & Technology

1990-12-01

for the spacecraft charge control. C. THERMIONIC ELECTRON EMISSION Electrons may be emitted by surfaces at high temperature in a process, called...data in the high voltage region and 1300 to 1600 °K temperature range may be fitted to the following equation, for a 50 % lithium sample: log01 =logos...in Figure 15, is similar to a high - temperature quartz structure, yet differs from it in that half of the silicon atoms are repiaced by aluminum atoms

Forbidden 2P–nP and 2P–nF transitions in the energy spectrum of ultracold Rydberg lithium-7 atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zelener, B. B., E-mail: bobozel@mail.ru; Saakyan, S. A.; Sautenkov, V. A.

2016-04-15

Forbidden 2P–nP and 2P–nF transitions in the ranges of the principal quantum number n = 42–114 and n = 38–48 have been detected in the optical spectra of ultracold highly excited lithium-7 atoms. The presence of forbidden transitions is due to induced external electric fields. The quantum defects and ionization energy obtained in various experiments and predicted theoretically have been discussed.

Radiative transitions from Rydberg states of lithium atoms in a blackbody radiation environment

NASA Astrophysics Data System (ADS)

Glukhov, I. L.; Ovsiannikov, V. D.

2012-05-01

The radiative widths induced by blackbody radiation (BBR) were investigated for Rydberg states with principal quantum number up to n = 1000 in S-, P- and D-series of the neutral lithium atom at temperatures T = 100-3000 K. The rates of BBR-induced decays and excitations were compared with the rates of spontaneous decays. Simple analytical approximations are proposed for accurate estimations of the ratio of thermally induced decay (excitation) rates to spontaneous decay rates in wide ranges of states and temperatures.

Spectroscopy of Lithium Atoms and Molecules on Helium Nanodroplets

PubMed Central

2013-01-01

We report on the spectroscopic investigation of lithium atoms and lithium dimers in their triplet manifold on the surface of helium nanodroplets (HeN). We present the excitation spectrum of the 3p ← 2s and 3d ← 2s two-photon transitions for single Li atoms on HeN. The atoms are excited from the 2S(Σ) ground state into Δ, Π, and Σ pseudodiatomic molecular substates. Excitation spectra are recorded by resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) mass spectroscopy, which allows an investigation of the exciplex (Li*–Hem, m = 1–3) formation process in the Li–HeN system. Electronic states are shifted and broadened with respect to free atom states, which is explained within the pseudodiatomic model. The assignment is assisted by theoretical calculations, which are based on the Orsay–Trento density functional where the interaction between the helium droplet and the lithium atom is introduced by a pairwise additive approach. When a droplet is doped with more than one alkali atom, the fragility of the alkali–HeN systems leads preferably to the formation of high-spin molecules on the droplets. We use this property of helium nanodroplets for the preparation of Li dimers in their triplet ground state (13Σu+). The excitation spectrum of the 23Πg(ν′ = 0–11) ← 13Σu+(ν″ = 0) transition is presented. The interaction between the molecule and the droplet manifests in a broadening of the transitions with a characteristic asymmetric form. The broadening extends to the blue side of each vibronic level, which is caused by the simultaneous excitation of the molecule and vibrations of the droplet (phonons). The two isotopes of Li form 6Li2 and 7Li2 as well as isotope mixed 6Li7Li molecules on the droplet surface. By using REMPI-TOF mass spectroscopy, isotope-dependent effects could be studied. PMID:23895106

Clarifying Atomic Weights: A 2016 Four-Figure Table of Standard and Conventional Atomic Weights

ERIC Educational Resources Information Center

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron,…

Rydberg Molecules for Ion-Atom Scattering in the Ultracold Regime

NASA Astrophysics Data System (ADS)

Schmid, T.; Veit, C.; Zuber, N.; Löw, R.; Pfau, T.; Tarana, M.; Tomza, M.

2018-04-01

We propose a novel experimental method to extend the investigation of ion-atom collisions from the so far studied cold, essentially classical regime to the ultracold, quantum regime. The key aspect of this method is the use of Rydberg molecules to initialize the ultracold ion-atom scattering event. We exemplify the proposed method with the lithium ion-atom system, for which we present simulations of how the initial Rydberg molecule wave function, freed by photoionization, evolves in the presence of the ion-atom scattering potential. We predict bounds for the ion-atom scattering length from ab initio calculations of the interaction potential. We demonstrate that, in the predicted bounds, the scattering length can be experimentally determined from the velocity of the scattered wave packet in the case of 6Li+ = 6Li and from the molecular ion fraction in the case of 7Li+ - 7Li. The proposed method to utilize Rydberg molecules for ultracold ion-atom scattering, here particularized for the lithium ion-atom system, is readily applicable to other ion-atom systems as well.

Rydberg Molecules for Ion-Atom Scattering in the Ultracold Regime.

PubMed

Schmid, T; Veit, C; Zuber, N; Löw, R; Pfau, T; Tarana, M; Tomza, M

2018-04-13

We propose a novel experimental method to extend the investigation of ion-atom collisions from the so far studied cold, essentially classical regime to the ultracold, quantum regime. The key aspect of this method is the use of Rydberg molecules to initialize the ultracold ion-atom scattering event. We exemplify the proposed method with the lithium ion-atom system, for which we present simulations of how the initial Rydberg molecule wave function, freed by photoionization, evolves in the presence of the ion-atom scattering potential. We predict bounds for the ion-atom scattering length from ab initio calculations of the interaction potential. We demonstrate that, in the predicted bounds, the scattering length can be experimentally determined from the velocity of the scattered wave packet in the case of ^{6}Li^{+}-^{6}Li and from the molecular ion fraction in the case of ^{7}Li^{+}-^{7}Li. The proposed method to utilize Rydberg molecules for ultracold ion-atom scattering, here particularized for the lithium ion-atom system, is readily applicable to other ion-atom systems as well.

Solid sampling determination of magnesium in lithium niobate crystals by graphite furnace atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Dravecz, Gabriella; Laczai, Nikoletta; Hajdara, Ivett; Bencs, László

2016-12-01

The vaporization/atomization processes of Mg in high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS-GFAAS) were investigated by evaporating solid (powder) samples of lithium niobate (LiNbO3) optical single crystals doped with various amounts of Mg in a transversally heated graphite atomizer (THGA). Optimal analytical conditions were attained by using the Mg I 215.4353 nm secondary spectral line. An optimal pyrolysis temperature of 1500 °C was found for Mg, while the compromise atomization temperature in THGAs (2400 °C) was applied for analyte vaporization. The calibration was performed against solid (powered) lithium niobate crystal standards. The standards were prepared with exactly known Mg content via solid state fusion of the oxide components of the matrix and analyte. The correlation coefficient (R value) of the linear calibration was not worse than 0.9992. The calibration curves were linear in the dopant concentration range of interest (0.74-7.25 mg/g Mg), when dosing 3-10 mg of the powder samples into the graphite sample insertion boats. The Mg content of the studied 19 samples was in the range of 1.69-4.13 mg/g. The precision of the method was better than 6.3%. The accuracy of the results was verified by means of flame atomic absorption spectrometry with solution sample introduction after digestion of several crystal samples.

Threshold singularities in a Fermi gas with attractive potential in one dimension

DOE PAGES

Schlottmann, P.; Zvyagin, A. A.

2015-01-15

We consider the one-dimensional gas of fermions with spin S interacting via an attractive δ-function potential using the Bethe Ansatz solution. In zero magnetic field the atoms form bound states of N=2S + 1 fermions, i.e. generalized Cooper states with each atom having a different spin component. For low energy excitations the system is a Luttinger liquid and is properly described by a conformal field theory with conformal charge c=1. The linear dispersion of a Luttinger liquid is asymptotically exact in the low-energy limit where the band curvature terms in the dispersion are irrelevant. For higher energy excitations, however, themore » spectral function displays deviations in the neighborhood of the single-particle (hole) energy, which can be described by an effective X-ray edge type model. Using the Bethe Ansatz solution we obtain expressions for the critical exponents for the single-particle (hole) Green’s function. This model can be relevant in the context of ultracold atoms with effective total spin S confined to an elongated optical trap.« less

Characterizing the antiferromagnetic ordering of fermions in a compensated optical lattice

NASA Astrophysics Data System (ADS)

Duarte, P. M.; Hart, R. A.; Yang, T. L.; Liu, X.; Hulet, R. G.; Paiva, T. C. L.; Huse, D.; Scalettar, R.; Trivedi, N.

2014-05-01

We realize the Fermi-Hubbard model with fermionic 6Li atoms in a three-dimensional, red-detuned optical lattice. The lattice is compensated by the addition of three blue-detuned gaussian beams which overlap each of the lattice laser beams, but are not retro-reflected. Using the compensated lattice potential, we have reached temperatures low enough to produce antiferromagnetic (AF) spin correlations, which we detect via Bragg scattering of light. The variation of the measured AF correlations as a function of the Hubbard interaction strength, U / t , provides a way to determine the temperature of the atoms in the lattice by comparison with quantum Monte Carlo calculations. This method suggests our temperature is in the range of 2-3 times the Néel ordering temperature. In this poster we present our Bragg scattering results along with our studies of the effect of the compensating potential in helping us cool the atoms in the lattice and also enlarge the size of the AF phase. Work supported by DARPA, ONR, NSF and The Welch Foundation.

Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

DOE PAGES

Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; ...

2014-09-30

Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li 1.2Mn 0.55Ni 0.15Co 0.1O 2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxidemore » occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(Li Lioct →Li Litet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [Li TM oct → Li Litet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [Mn TMoct Mn Litet Mn Lioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This report contains viewgraphs on the following topics. The advanced light source U8 undulator beamline, 20--300 eV; gas-phase actinide studies with synchrotron radiation; atomic structure calculations for heavy atoms; flux growth of single crystal uranium intermetallics: Extension to transuranics; x-ray absorption near-edge structure studies of actinide compounds; surface as a new stage for studying actinides: Theoretical study of the surface electronic structure of uranium; magnetic x-ray scattering experiments at resonant energies; beamline instruments for radioactive materials; the search for x-ray absorption magnetic circular dichroism in actinide materials: preliminary experiments using UFe[sub 2] and U-S; the laser plasma laboratory light source:more » a source of preliminary transuranic data; electron spectroscopy of heavy fermion actinide materials; study of thin layers of actinides. Present status and future use of synchrotron radiation; electronic structure and correlated-electron theory for actinide materials; and heavy fermion and kondo phenomena in actinide materials.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This report contains viewgraphs on the following topics. The advanced light source U8 undulator beamline, 20--300 eV; gas-phase actinide studies with synchrotron radiation; atomic structure calculations for heavy atoms; flux growth of single crystal uranium intermetallics: Extension to transuranics; x-ray absorption near-edge structure studies of actinide compounds; surface as a new stage for studying actinides: Theoretical study of the surface electronic structure of uranium; magnetic x-ray scattering experiments at resonant energies; beamline instruments for radioactive materials; the search for x-ray absorption magnetic circular dichroism in actinide materials: preliminary experiments using UFe{sub 2} and U-S; the laser plasma laboratory light source:more » a source of preliminary transuranic data; electron spectroscopy of heavy fermion actinide materials; study of thin layers of actinides. Present status and future use of synchrotron radiation; electronic structure and correlated-electron theory for actinide materials; and heavy fermion and kondo phenomena in actinide materials.« less

Lithium: for harnessing renewable energy

USGS Publications Warehouse

Bradley, Dwight; Jaskula, Brian W.

2014-01-01

Lithium, which has the chemical symbol Li and an atomic number of 3, is the first metal in the periodic table. Lithium has many uses, the most prominent being in batteries for cell phones, laptops, and electric and hybrid vehicles. Worldwide sources of lithium are broken down by ore-deposit type as follows: closed-basin brines, 58%; pegmatites and related granites, 26%; lithium-enriched clays, 7%; oilfield brines, 3%; geothermal brines, 3%; and lithium-enriched zeolites, 3% (2013 statistics). There are over 39 million tons of lithium resources worldwide. Of this resource, the USGS estimates there to be approximately 13 million tons of current economically recoverable lithium reserves. To help predict where future lithium supplies might be located, USGS scientists study how and where identified resources are concentrated in the Earth’s crust, and they use that knowledge to assess the likelihood that undiscovered resources also exist.

Lorentz and CPT Tests with Atoms

NASA Astrophysics Data System (ADS)

Vargas Silva, Arnaldo J.

The prospects for using atomic-spectroscopy experiments to test Lorentz and CPT symmetry are investigated. Phenomenological models for Lorentz violation studied in this work include ones with contributions from all quadratic operators for a Dirac fermion in the Lagrange density of the Standard-Model Extension (SME), without restriction on the operator mass dimension. The systems considered include atoms composed of conventional matter, antimatter, and second-generation particles. Generic expressions for the Lorentz-violating energy shifts applicable to a broad range of atomic transitions are obtained. Signals for Lorentz violation that can in principle be studied in spectroscopic experiments are identified from the theoretical corrections to the spectrum. Some of these signals include sidereal and annual variations of atomic transition frequencies measured in a laboratory on the surface of the Earth. Other possibilities include effects produced by changing the orientation of the applied magnetic field or by realizing space-based experiments. Discrepancies in the experimental values for fundamental constants and energy levels based on self-consistent predictions from the Standard Model also offer potential signals for Lorentz violation. The sensitivities of different experiments to distinct sets of coefficients for Lorentz violation are considered. Using atoms composed of different particle species allows measurements of coefficients for Lorentz violation in different fermion sectors of the SME. Experiments comparing hydrogen and antihydrogen can discriminate between coefficients for Lorentz violation that are associated with CPT-odd or CPT-even operators. Additionally, certain systems and transitions are more sensitive to nonminimal operators, while others are particularly sensitive to minimal ones.

Carbon-coated ZnO mat passivation by atomic-layer-deposited HfO2 as an anode material for lithium-ion batteries.

PubMed

Jung, Mi-Hee

2017-11-01

ZnO has had little consideration as an anode material in lithium-ion batteries compared with other transition-metal oxides due to its inherent poor electrical conductivity and large volume expansion upon cycling and pulverization of ZnO-based electrodes. A logical design and facile synthesis of ZnO with well-controlled particle sizes and a specific morphology is essential to improving the performance of ZnO in lithium-ion batteries. In this paper, a simple approach is reported that uses a cation surfactant and a chelating agent to synthesize three-dimensional hierarchical nanostructured carbon-coated ZnO mats, in which the ZnO mats are composed of stacked individual ZnO nanowires and form well-defined nanoporous structures with high surface areas. In order to improve the performance of lithium-ion batteries, HfO 2 is deposited on the carbon-coated ZnO mat electrode via atomic layer deposition. Lithium-ion battery devices based on the carbon-coated ZnO mat passivation by atomic layer deposited HfO 2 exhibit an excellent initial discharge and charge capacities of 2684.01 and 963.21mAhg -1 , respectively, at a current density of 100mAg -1 in the voltage range of 0.01-3V. They also exhibit cycle stability after 125 cycles with a capacity of 740mAhg -1 and a remarkable rate capability. Copyright © 2017 Elsevier Inc. All rights reserved.

Lithium-aluminum-iron electrode composition

DOEpatents

Kaun, Thomas D.

1979-01-01

A negative electrode composition is presented for use in a secondary electrochemical cell. The cell also includes an electrolyte with lithium ions such as a molten salt of alkali metal halides or alkaline earth metal halides that can be used in high-temperature cells. The cell's positive electrode contains a a chalcogen or a metal chalcogenide as the active electrode material. The negative electrode composition includes up to 50 atom percent lithium as the active electrode constituent in an alloy of aluminum-iron. Various binary and ternary intermetallic phases of lithium, aluminum and iron are formed. The lithium within the intermetallic phase of Al.sub.5 Fe.sub.2 exhibits increased activity over that of lithium within a lithium-aluminum alloy to provide an increased cell potential of up to about 0.25 volt.

In Situ Atomic-Scale Observation of Electrochemical Delithiation Induced Structure Evolution of LiCoO2 Cathode in a Working All-Solid-State Battery.

PubMed

Gong, Yue; Zhang, Jienan; Jiang, Liwei; Shi, Jin-An; Zhang, Qinghua; Yang, Zhenzhong; Zou, Dongli; Wang, Jiangyong; Yu, Xiqian; Xiao, Ruijuan; Hu, Yong-Sheng; Gu, Lin; Li, Hong; Chen, Liquan

2017-03-29

We report a method for in situ atomic-scale observation of electrochemical delithiation in a working all-solid-state battery using a state-of-the-art chip based in situ transmission electron microscopy (TEM) holder and focused ion beam milling to prepare an all-solid-state lithium-ion battery sample. A battery consisting of LiCoO 2 cathode, LLZO solid state electrolyte and gold anode was constructed, delithiated and observed in an aberration corrected scanning transmission electron microscope at atomic scale. We found that the pristine single crystal LiCoO 2 became nanosized polycrystal connected by coherent twin boundaries and antiphase domain boundaries after high voltage delithiation. This is different from liquid electrolyte batteries, where a series of phase transitions take place at LiCoO 2 cathode during delithiation. Both grain boundaries become more energy favorable along with extraction of lithium ions through theoretical calculation. We also proposed a lithium migration pathway before and after polycrystallization. This new methodology could stimulate atomic scale in situ scanning/TEM studies of battery materials and provide important mechanistic insight for designing better all-solid-state battery.

Reaction between Lithium Anode and Polysulfide Ions in a Lithium-Sulfur Battery.

PubMed

Zheng, Dong; Yang, Xiao-Qing; Qu, Deyang

2016-09-08

The reaction between polysulfides and a lithium anode in a Li-S battery was examined using HPLC. The results demonstrated that the polysulfide species with six sulfur atoms or more were reactive with regard to lithium metal. Although the reaction can be greatly inhibited by the addition of LiNO3 in the electrolyte, LiNO3 cannot form a stable protection layer on the Li anode to prevent the reaction during storage. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Silicene on Ag(1 1 1): Geometric and electronic structures of a new honeycomb material of Si

NASA Astrophysics Data System (ADS)

Takagi, Noriaki; Lin, Chun-Liang; Kawahara, Kazuaki; Minamitani, Emi; Tsukahara, Noriyuki; Kawai, Maki; Arafune, Ryuichi

2015-02-01

Silicene, a two-dimensional honeycomb sheet consisting of Si atoms, has attracted much attention as a new low-dimensional material because it gains various fascinating characteristics originating from the combination of Dirac fermion features with spin-orbit coupling. The novel properties such as the quantum spin Hall effect and the compatibility with the current Si device technologies have fueled competition to realize the silicene. This review article focuses on the geometric and electronic structures of silicene grown on Ag(1 1 1) investigated by scanning tunneling microcopy (STM), low energy electron diffraction (LEED) and density functional theory (DFT) calculations. The silicene on Ag(1 1 1) takes locally-buckled structure in which the Si atoms are displaced perpendicularly to the basal plane. As a result, several superstructures such as 4 × 4,√{ 13 } ×√{ 13 } R 13.9 °, 4 /√{ 3 } × 4 /√{ 3 } , and etc. emerge. The atomic arrangement of the 4 × 4 silicene has been determined by STM, DFT calculations and LEED dynamical analysis, while the other superstructures remain to be fully-resolved. In the 4 × 4 silicene, Si atoms are arranged to form a buckled honeycomb structure where six Si atoms of 18 Si atoms in the unit cell are displaced vertically. The displacements lead to the vertical shift of the substrate Ag atoms, indicating the non-negligible coupling at the interface between the silicene layer and the substrate. The interface coupling significantly modifies the electronic structure of the 4 × 4 silicene. No Landau level sequences were observed by scanning tunneling spectroscopy (STS) with magnetic fields applied perpendicularly to the sample surface. The DFT calculations showed that the π and π∗ bands derived from the Si 3pz are hybridized with the Ag electronic states, leading to the drastic modification in the band structure and then the absence of Dirac fermion features together with the two-dimensionality in the electronic states. These findings demonstrate that the strong coupling at the interface causes the symmetry breaking for the 4 × 4 silicene and as a result the disappearance of Dirac fermion features. The geometric and electronic structures of other superstructures are also discussed.

Majorana edge States in atomic wires coupled by pair hopping.

PubMed

Kraus, Christina V; Dalmonte, Marcello; Baranov, Mikhail A; Läuchli, Andreas M; Zoller, P

2013-10-25

We present evidence for Majorana edge states in a number conserving theory describing a system of spinless fermions on two wires that are coupled by pair hopping. Our analysis is based on a combination of a qualitative low energy approach and numerical techniques using the density matrix renormalization group. In addition, we discuss an experimental realization of pair-hopping interactions in cold atom gases confined in optical lattices.

Rock-salt structure lithium deuteride formation in liquid lithium with high-concentrations of deuterium: a first-principles molecular dynamics study

DOE PAGES

Chen, Mohan; Abrams, T.; Jaworski, M. A.; ...

2015-12-17

Because of lithium's possible use as a first wall material in a fusion reactor, a fundamental understanding of the interactions between liquid lithium (Li) and deuterium (D) is important. Here, we predict structural and dynamical properties of liquid Li samples with high concentrations of D, as derived from first-principles molecular dynamics simulations. Liquid Li samples with four concentrations of inserted D atoms (LiDmore » $$_{\\beta}$$ , $$\\beta =0.25$$ , 0.50, 0.75, and 1.00) are studied at temperatures ranging from 470 to 1143 K. Densities, diffusivities, pair distribution functions, bond angle distribution functions, geometries, and charge transfer between Li and D atoms are calculated and analyzed. The analysis suggests liquid–solid phase transitions can occur at some concentrations and temperatures, forming rock-salt LiD within liquid Li. Finally, we observed the formation of some D 2 molecules at high D concentrations.« less

Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries.

PubMed

Dutta, Arghya; Wong, Raymond A; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung

2018-02-14

The major challenge facing lithium-oxygen batteries is the insulating and bulk lithium peroxide discharge product, which causes sluggish decomposition and increasing overpotential during recharge. Here, we demonstrate an improved round-trip efficiency of ~80% by means of a mesoporous carbon electrode, which directs the growth of one-dimensional and amorphous lithium peroxide. Morphologically, the one-dimensional nanostructures with small volume and high surface show improved charge transport and promote delithiation (lithium ion dissolution) during recharge and thus plays a critical role in the facile decomposition of lithium peroxide. Thermodynamically, density functional calculations reveal that disordered geometric arrangements of the surface atoms in the amorphous structure lead to weaker binding of the key reaction intermediate lithium superoxide, yielding smaller oxygen reduction and evolution overpotentials compared to the crystalline surface. This study suggests a strategy to enhance the decomposition rate of lithium peroxide by exploiting the size and shape of one-dimensional nanostructured lithium peroxide.

Double Photoionization of excited Lithium and Beryllium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yip, Frank L.; McCurdy, C. William; Rescigno, Thomas N.

2010-05-20

We present total, energy-sharing and triple differential cross sections for one-photon, double ionization of lithium and beryllium starting from aligned, excited P states. We employ a recently developed hybrid atomic orbital/ numerical grid method based on the finite-element discrete-variable representation and exterior complex scaling. Comparisons with calculated results for the ground-state atoms, as well as analogous results for ground-state and excited helium, serve to highlight important selection rules and show some interesting effects that relate to differences between inter- and intra-shell electron correlation.

Synthesis and characterization of lithium ion nanobatteries and lithium battery nanoelectrode arrays

NASA Astrophysics Data System (ADS)

Vullum, Fride

2005-07-01

Arrays of individual nanobatteries were constructed by confining V 2O5 ambigel and a PEO wax electrolyte containing lithium triflate in the porous structure of an alumina membrane. The pores had an average diameter of 200 nm. Cyclic voltammetry data indicated that this configuration could be described by a nanoelectrode array model. A.C. impedance data of the macro cell coupled with a lithium anode showed that there was little or no unstable passivation behavior of the lithium anode in contact with the PEO wax electrolyte. This was attributed to a self-assembled hydrocarbon layer that formed at the surface of the wax preventing the lithium metal from chemically reacting with oxygen atoms in the PEO backbone. Individual nanobatteries were characterized by charge/discharge analysis. Electrical contact with individual nanocathodes was achieved using the cantilever tip of an atomic force microscope. Of the three different anode materials that were investigated SnO2 seemed to perform better than either graphite or lithium metal. This was attributed to SnO2 being able to accept more lithium ions into its structure than graphite. The favorable capacity values compared to the lithium anode batteries were attributed to better contact between the electrolyte and the anode. Average volumetric capacities for the SnO2 system were found to be around 45 muAh/cm2mum, which compare favorably to similar systems reported in literature. These nanobatteries also exhibited capacitor-like behavior, having capacitances around 300-400 F/g, which is in the range of what is expected for a supercapacitor. An electrochemical cell combining battery-like and capacitor-like behavior is a very promising power supply for applications such as electric vehicle propulsion systems.

Casimir forces between defects in one-dimensional quantum liquids

NASA Astrophysics Data System (ADS)

Recati, A.; Fuchs, J. N.; Peça, C. S.; Zwerger, W.

2005-08-01

We discuss the effective interactions between two localized perturbations in one-dimensional quantum liquids. For noninteracting fermions, the interactions exhibit Friedel oscillations, giving rise to a Ruderman-Kittel-Kasuya-Yosida-type interaction familiar from impurity spins in metals. In the interacting case, at low energies, a Luttinger-liquid description applies. In the case of repulsive fermions, the Friedel oscillations of the interacting system are replaced, at long distances, by a universal Casimir-type interaction which depends only on the sound velocity and decays inversely with the separation. The Casimir-type interaction between localized perturbations embedded in a fermionic environment gives rise to a long-range coupling between quantum dots in ultracold Fermi gases, opening an alternative to couple qubits with neutral atoms. We also briefly discuss the case of bosonic quantum liquids in which the interaction between weak impurities turns out to be short ranged, decaying exponentially on the scale of the healing length.

Controlled parity switch of persistent currents in quantum ladders

NASA Astrophysics Data System (ADS)

Filippone, Michele; Bardyn, Charles-Edouard; Giamarchi, Thierry

2018-05-01

We investigate the behavior of persistent currents for a fixed number of noninteracting fermions in a periodic quantum ladder threaded by Aharonov-Bohm and transverse magnetic fluxes Φ and χ . We show that the coupling between ladder legs provides a way to effectively change the ground-state fermion-number parity, by varying χ . Specifically, we demonstrate that varying χ by 2 π (one flux quantum) leads to an apparent fermion-number parity switch. We find that persistent currents exhibit a robust 4 π periodicity as a function of χ , despite the fact that χ →χ +2 π leads to modifications of order 1 /N of the energy spectrum, where N is the number of sites in each ladder leg. We show that these parity-switch and 4 π periodicity effects are robust with respect to temperature and disorder, and outline potential physical realizations using cold atomic gases and photonic lattices, for bosonic analogs of the effects.

Lithium doping and vacancy effects on the structural, electronic and magnetic properties of hexagonal boron nitride sheet: A first-principles calculation

NASA Astrophysics Data System (ADS)

Fartab, Dorsa S.; Kordbacheh, Amirhossein Ahmadkhan

2018-06-01

The first-principles calculations based on spin-polarized density functional theory is carried out to investigate the structural, electronic and magnetic properties of a hexagonal boron nitride sheet (h-BNS) doped by one or two lithium atom(s). Moreover, a vacancy in the neighborhood of one Li-substituted atom is introduced into the system. All optimized structures indicate significant local deformations with Li atom(s) protruded to the exterior of the sheet. The defects considered at N site are energetically more favorable than their counterpart structures at B site. The spin-polarized impurity states appear within the bandgap region of the pristine h-BNS, which lead to a spontaneous magnetization with the largest magnetic moments of about 2 μB in where a single or two B atom(s) are replaced by Li atom(s). Furthermore, the Li substitution for a single B atom increases the density of holes compared to that of electrons forming a p-type semiconductor. More interestingly, the structure in which two Li are substituted two neighboring B atoms appears to show desired half-metallic behavior that may be applicable in spintronic. The results provide a way to enhance the conductivity and magnetism of the pristine h-BNS for potential applications in BN-based nanoscale devices.

Towards high-energy and durable lithium-ion batteries via atomic layer deposition: elegantly atomic-scale material design and surface modification

NASA Astrophysics Data System (ADS)

Meng, Xiangbo

2015-01-01

Targeted at fueling future transportation and sustaining smart grids, lithium-ion batteries (LIBs) are undergoing intensive investigation for improved durability and energy density. Atomic layer deposition (ALD), enabling uniform and conformal nanofilms, has recently made possible many new advances for superior LIBs. The progress was summarized by Liu and Sun in their latest review [1], offering many insightful views, covering the design of nanostructured battery components (i.e., electrodes and solid electrolytes), and nanoscale modification of electrode/electrolyte interfaces. This work well informs peers of interesting research conducted and it will also further help boost the applications of ALD in next-generation LIBs and other advanced battery technologies.

A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium

DOE PAGES

Vella, Joseph R.; Stillinger, Frank H.; Panagiotopoulos, Athanassios Z.; ...

2015-07-23

Here, we compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom-method (EAM) type. The coexistence properties we focus on are the melting curve, vapor pressure, saturated liquid density, and vapor-liquid surface tension. For each property studied, the simulation results are compared to available experimental data in order to properly assess the accuracy of each potential. We find that the Cui 2NN MEAM is the most robust potential, giving adequate agreement with most of the properties examined. For example, the zero-pressure melting point of this potentialmore » is shown to be around 443 K, while experimentally is it about 454 K. This potential also gives excellent agreement with saturated liquid densities, even though no liquid properties were used in the fitting procedure. Our study allows us to conclude that the Cui 2NN MEAM should be used for further simulations of lithiums.« less

Ionization of nS, nP, and nD lithium, potassium, and cesium Rydberg atoms by blackbody radiation

NASA Astrophysics Data System (ADS)

Beterov, I. I.; Ryabtsev, I. I.; Tretyakov, D. B.; Bezuglov, N. N.; Ékers, A.

2008-07-01

The results of theoretical calculations of the blackbody ionization rates of lithium, potassium, and cesium atoms residing in Rydberg states are presented. The calculations are performed for nS, nP, and nD states in a wide range of principal quantum numbers, n = 8-65, for blackbody radiation temperatures T = 77, 300, and 600 K. The calculations are performed using the known quasi-classical formulas for the photoionization cross sections and for the radial matrix elements of transitions in the discrete spectrum. The effect of the blackbody-radiation-induced population redistribution between Rydberg states on the blackbody ionization rates measured under laboratory conditions is quantitatively analyzed. Simple analytical formulas that approximate the numerical results and that can be used to estimate the blackbody ionization rates of Rydberg atoms are presented. For the S series of lithium, the rate of population of high-lying Rydberg levels by blackbody radiation is found to anomalously behave as a function of n. This anomaly is similar to the occurrence of the Cooper minimum in the discrete spectrum.

Colloquium: Laser probing of neutron-rich nuclei in light atoms

NASA Astrophysics Data System (ADS)

Lu, Z.-T.; Mueller, P.; Drake, G. W. F.; Nörtershäuser, W.; Pieper, Steven C.; Yan, Z.-C.

2013-10-01

The neutron-rich He6 and He8 isotopes exhibit an exotic nuclear structure that consists of a tightly bound He4-like core with additional neutrons orbiting at a relatively large distance, forming a halo. Recent experimental efforts have succeeded in laser trapping and cooling these short-lived, rare helium atoms and have measured the atomic isotope shifts along the He4-He6-He8 chain by performing laser spectroscopy on individual trapped atoms. Meanwhile, the few-electron atomic structure theory, including relativistic and QED corrections, has reached a comparable degree of accuracy in the calculation of the isotope shifts. In parallel efforts, also by measuring atomic isotope shifts, the nuclear charge radii of lithium and beryllium isotopes have been studied. The techniques employed were resonance ionization spectroscopy on neutral, thermal lithium atoms and collinear laser spectroscopy on beryllium ions. Combining advances in both atomic theory and laser spectroscopy, the charge radii of these light halo nuclei have now been determined for the first time independent of nuclear structure models. The results are compared with the values predicted by a number of nuclear structure calculations and are used to guide our understanding of the nuclear forces in the extremely neutron-rich environment.

Static electric dipole polarizability of lithium atoms in Debye plasmas

NASA Astrophysics Data System (ADS)

Ning, Li-Na; Qi, Yue-Ying

2012-12-01

The static electric dipole polarizabilities of the ground state and n <= 3 excited states of a lithium atom embedded in a weekly coupled plasma environment are investigated as a function of the plasma screening radium. The plasma screening of the Coulomb interaction is described by the Debye—Hückel potential and the interaction between the valence electron and the atomic core is described by a model potential. The electron energies and wave functions for both the bound and continuum states are calculated by solving the Schrödinger equation numerically using the symplectic integrator. The oscillator strengths, partial-wave, and total static dipole polarizabilities of the ground state and n <= 3 excited states of the lithium atom are calculated. Comparison of present results with those of other authors, when available, is made. The results for the 2s ground state demonstrated that the oscillator strengths and the static dipole polarizabilities from np orbitals do not always increase or decrease with the plasma screening effect increasing, unlike that for hydrogen-like ions, especially for 2s→3p transition there is a zero value for both the oscillator strength and the static dipole polarizability for screening length D = 10.3106a0, which is associated with the Cooper minima.

Ion beam promoted lithium absorption in glassy polymeric carbon

NASA Astrophysics Data System (ADS)

Zimmerman, R. L.; Ila, D.; Jenkins, G. M.; Maleki, H.; Poker, D. B.

1995-12-01

Glassy Polymeric Carbon (GPC) samples prepared from a precursor possess accessible pore volume that depends on the heat treatment temperature [G.M. Jenkins and K. Kawamura, Polymeric Carbons - Carbon Fiber, Glass and Char (Cambridge University Press, Cambridge, 1976) p. 140]. We have shown that lithium percolates without diffusion into the accessible pores of GPC samples immersed in a molten lithium salt bath at 700°C [D. Ila, G.M. Jenkins, L.R. Holland, A.L. Evelyn and H. Jena, Vacuum 45 (1994) 451]. Ion bombardment with 10 MeV Au atoms increases the total pore volume available for lithium occupation even for samples normally impermeable to lithium. The lithium concentration depth profile is measured using Li 7(p,2α) nuclear reaction analysis. We will report on lithium percolation into GPC prepared at temperatures between 500°C and 1000°C and activated by a 10 MeV gold ion bombardment.

Fermionic ground state at unitarity and Haldane exclusion statistics

NASA Astrophysics Data System (ADS)

Bhaduri, R. K.; Murthy, M. V. N.; Brack, M.

2008-06-01

We consider a few-particle system of trapped neutral fermionic atoms at ultra-low temperatures, with the attractive interaction tuned to Feshbach resonance. We calculate the energies and the spatial densities of the few-body systems using a generalization of the extended Thomas-Fermi (ETF) method, and assuming the particles obey the Haldane-Wu fractional exclusion statistics (FES) at unitarity. This method is different from the scaled ETF version given by Chang and Bertsch (2007 Phys. Rev. A 76 021603). Our semiclassical FES results are consistent with the Monte Carlo calculations of the above authors, but can hardly be distinguished from their overall scaling of the ETF result at unitarity.

High-precision multiband spectroscopy of ultracold fermions in a nonseparable optical lattice

NASA Astrophysics Data System (ADS)

Fläschner, Nick; Tarnowski, Matthias; Rem, Benno S.; Vogel, Dominik; Sengstock, Klaus; Weitenberg, Christof

2018-05-01

Spectroscopic tools are fundamental for the understanding of complex quantum systems. Here, we demonstrate high-precision multiband spectroscopy in a graphenelike lattice using ultracold fermionic atoms. From the measured band structure, we characterize the underlying lattice potential with a relative error of 1.2 ×10-3 . Such a precise characterization of complex lattice potentials is an important step towards precision measurements of quantum many-body systems. Furthermore, we explain the excitation strengths into different bands with a model and experimentally study their dependency on the symmetry of the perturbation operator. This insight suggests the excitation strengths as a suitable observable for interaction effects on the eigenstates.

Chiral sp-orbital paired superfluid of fermionic atoms in a 2D spin-dependent optical lattice

NASA Astrophysics Data System (ADS)

Liu, Bo; Li, Xiaopeng; Wu, Biao; Liu, W. Vincent

2014-03-01

Recent progress in realizing synthetic quantum orbital materials in chequerboard and hexagonal optical lattices opens an avenue towards exploiting unconventional quantum states, advancing our understanding of correlated quantum matter. Here, we unveil a chiral sp -orbital paired superfluid state for an interacting two-component Fermi gas in a 2D spin-dependent optical lattice. Surprisingly, this novel state is found to exist in a wide regime of experimentally tunable interaction strengths. The coexistence of this chiral superfluid and the ferro-orbital order is reminiscent of that of magnetism and superconductivity which is a long-standing issue in condensed matter physics. The topological properties are demonstrated by the existence of gapless chiral fermions in the presence of domain wall defects, reminiscent of quantum Hall edge states. Such properties can be measured by radio frequency spectroscopy in cold atomic experiments. Work supported in part by U.S. ARO, AFOSR, and DARPA-OLE-ARO, Kaufman Foundation, and NSF of China.

Simulation of a 3D MOT-Optical Molasses Hybrid for Potassium-41 Atoms

NASA Astrophysics Data System (ADS)

Peterson, W. A.; Wrubel, Jonathan

2017-04-01

We report a design and numerical model for a 3D magneto-optical trap (MOT)-optical molasses hybrid for potassium-41 atoms. In this arrangement, the usual quadrupole magnetic field is replaced by an octupole field. The octupole field has a central region of very low magnetic field where our simulations show that the atoms experience an optical molasses, resulting in sub-doppler cooling not possible in a quadrupole MOT. The simulations also show that the presence of the magneto-optical trapping force at the edge of the cooling beams provides a restoring force which cycles atoms through the molasses region. We plan to use this hybrid trap to directly load a far off-resonance optical dipole trap. Because the atoms are recycled for multiple passes through the molasses, we expect a higher phase-space density of atoms loaded into the dipole trap. Similar hybrid cooling schemes should be relevant for lithium-6 and lithium-7, which also have poorly resolved D2 hyperfine structure. Research Corporation for Science Advancement, Cottrell College Science Award.

Landau quantization and quasiparticle interference in the three-dimensional Dirac semimetal Cd₃As₂.

PubMed

Jeon, Sangjun; Zhou, Brian B; Gyenis, Andras; Feldman, Benjamin E; Kimchi, Itamar; Potter, Andrew C; Gibson, Quinn D; Cava, Robert J; Vishwanath, Ashvin; Yazdani, Ali

2014-09-01

Condensed-matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations as well as the possibility to manipulate them for potential applications. It has recently been proposed that chiral, massless particles known as Weyl fermions can emerge in certain bulk materials or in topological insulator multilayers and give rise to unusual transport properties, such as charge pumping driven by a chiral anomaly. A pair of Weyl fermions protected by crystalline symmetry effectively forming a massless Dirac fermion has been predicted to appear as low-energy excitations in a number of materials termed three-dimensional Dirac semimetals. Here we report scanning tunnelling microscopy measurements at sub-kelvin temperatures and high magnetic fields on the II-V semiconductor Cd3As2. We probe this system down to atomic length scales, and show that defects mostly influence the valence band, consistent with the observation of ultrahigh-mobility carriers in the conduction band. By combining Landau level spectroscopy and quasiparticle interference, we distinguish a large spin-splitting of the conduction band in a magnetic field and its extended Dirac-like dispersion above the expected regime. A model band structure consistent with our experimental findings suggests that for a magnetic field applied along the axis of the Dirac points, Weyl fermions are the low-energy excitations in Cd3As2.

Quantum Computation and Simulation Using Neutral Fermionic Atoms

DTIC Science & Technology

2014-06-06

labeled n = 1) Efimov trimer crosses the three-atom scattering threshold. Working in the context of nuclear physics in the early 1970’s, Vitaly Efimov...permit the observation of anti-ferromagnetic ordering in the Hubbard model. (a) Papers published in peer-reviewed journals ( N /A for none) Enter List of...Physics, (06 2011): 0. doi: TOTAL: 7 Number of Papers published in peer-reviewed journals: (b) Papers published in non-peer-reviewed journals ( N /A for

Evaluation of zirconium as a permanent chemical modifier using synchrotron radiation and imaging techniques for lithium determination in sediment slurry samples by ET AAS.

PubMed

Flores, Araceli V; Pérez, Carlos A; Arruda, Marco A Z

2004-02-27

In the present paper, lithium was determined in river sediment using slurry sampling and electrothermal atomic absorption spectrometry (ET AAS) after L'vov platform coating with zirconium (as a permanent chemical modifier). The performance of this modifier and its distribution on the L'vov platform after different heating cycles were evaluated using synchrotron radiation X-ray fluorescence (SRXRF) and imaging scanning electron microscopy (SEM) techniques. The analytical conditions for lithium determination in river sediment slurries were also investigated and the best conditions were obtained employing 1300 and 2300 degrees C for pyrolysis and atomization temperatures, respectively. In addition, 100mg of sediment samples were prepared using 4.0moll(-1) HNO(3). The Zr-coating permitted lithium determination with good precision and accuracy after 480 heating cycles using the same platform for slurry samples. The sediment samples were collected from five different points of the Cachoeira river, São Paulo, Brazil. The detection and quantification limits were, respectively, 0.07 and 0.23mugl(-1).

Hydrothermal Crystal Growth of Lithium Tetraborate and Lithium Gamma-Metaborate

DTIC Science & Technology

2014-03-27

could be atomic nuclei, the center of mass of some complex—those details are immaterial. Both the rectangle and lozenge form potential cross-sections...HR y d L Figure 10. The red lines are the various contours of solution of 9, using a = 10 Bohr radii and the mass of coefficients on the LHS forced to...absorptivity is significantly below that of the transition metals or the actinides [9]. The lithium borate crystals are therefore a strong candidate for

Relativistic Fermions Generated by Square Lattices in Layered Compounds

NASA Astrophysics Data System (ADS)

Mao, Zhiqiang

Recent discoveries of topological semimetals have generated immense interests since they represent new topological states of quantum matters. In this talk, I will present our recent studies on topological semimetals, which are focused on Dirac/Weyl fermions generated by square lattices in layered compounds. I will first report on our discoveries of two new Dirac materials Sr1-yMn1-zSb2 and BaMnSb2 in which nearly massless Dirac fermions are generated by 2D Sb layers. In Sr1-yMn1-zSb2, Dirac fermions are found to coexist with ferromagnetism, offering a rare opportunity to investigate the interplay between relativistic fermions and spontaneous time reversal symmetry breaking and explore a possible magnetic Weyl state. Then I will show our quantum oscillation studies on two new Dirac nodal line semimetals - ZrSiSe and ZrSiTe. We have not only revealed their signatures of nodal-line fermions, but also demonstrated that their atomically thin crystals are accessible via mechanical exfoliation, raising the possibility of realizing the theoretically predicted 2D topological insulators. Finally I will discuss exotic quantum transport behavior arising from the zeroth Landau level in Weyl semimetal YbMnBi2. This work is supported by the U.S. DOE under Grant No. DE-SC0014208 (support for the work on ZrSiSe and ZrSiTe) and DOE-EPSCoR Grant No. DE-SC0012432 with additional support from the Louisiana BoR (support for the work on (Sr/Ba)MnSb2 and YbMnBi2).

Strength functions, entropies, and duality in weakly to strongly interacting fermionic systems.

PubMed

Angom, D; Ghosh, S; Kota, V K B

2004-01-01

We revisit statistical wave function properties of finite systems of interacting fermions in the light of strength functions and their participation ratio and information entropy. For weakly interacting fermions in a mean-field with random two-body interactions of increasing strength lambda, the strength functions F(k) (E) are well known to change, in the regime where level fluctuations follow Wigner's surmise, from Breit-Wigner to Gaussian form. We propose an ansatz for the function describing this transition which we use to investigate the participation ratio xi(2) and the information entropy S(info) during this crossover, thereby extending the known behavior valid in the Gaussian domain into much of the Breit-Wigner domain. Our method also allows us to derive the scaling law lambda(d) approximately 1/sqrt[m] ( m is number of fermions) for the duality point lambda= lambda(d), where F(k) (E), xi(2), and S(info) in both the weak ( lambda=0 ) and strong mixing ( lambda= infinity ) basis coincide. As an application, the ansatz function for strength functions is used in describing the Breit-Wigner to Gaussian transition seen in neutral atoms CeI to SmI with valence electrons changing from 4 to 8.

Dynamics of interacting fermions under spin-orbit coupling in an optical lattice clock

NASA Astrophysics Data System (ADS)

Bromley, S. L.; Kolkowitz, S.; Bothwell, T.; Kedar, D.; Safavi-Naini, A.; Wall, M. L.; Salomon, C.; Rey, A. M.; Ye, J.

2018-04-01

Quantum statistics and symmetrization dictate that identical fermions do not interact via s-wave collisions. However, in the presence of spin-orbit coupling (SOC), fermions prepared in identical internal states with distinct momenta become distinguishable. The resulting strongly interacting system can exhibit exotic topological and pairing behaviours, many of which are yet to be observed in condensed matter systems. Ultracold atomic gases offer a promising pathway for simulating these rich phenomena, but until recently have been hindered by heating and losses. Here we enter a new regime of many-body interacting SOC in a fermionic optical lattice clock (OLC), where the long-lived electronic clock states mitigate unwanted dissipation. Using clock spectroscopy, we observe the precession of the collective magnetization and the emergence of spin-locking effects arising from an interplay between p-wave and SOC-induced exchange interactions. The many-body dynamics are well captured by a collective XXZ spin model, which describes a broad class of condensed matter systems ranging from superconductors to quantum magnets. Furthermore, our work will aid in the design of next-generation OLCs by offering a route for avoiding the observed large density shifts caused by SOC-induced exchange interactions.

Graphene-Like-Graphite as Fast-Chargeable and High-Capacity Anode Materials for Lithium Ion Batteries.

PubMed

Cheng, Qian; Okamoto, Yasuharu; Tamura, Noriyuki; Tsuji, Masayoshi; Maruyama, Shunya; Matsuo, Yoshiaki

2017-11-01

Here we propose the use of a carbon material called graphene-like-graphite (GLG) as anode material of lithium ion batteries that delivers a high capacity of 608 mAh/g and provides superior rate capability. The morphology and crystal structure of GLG are quite similar to those of graphite, which is currently used as the anode material of lithium ion batteries. Therefore, it is expected to be used in the same manner of conventional graphite materials to fabricate the cells. Based on the data obtained from various spectroscopic techniques, we propose a structural GLG model in which nanopores and pairs of C-O-C units are introduced within the carbon layers stacked with three-dimensional regularity. Three types of highly ionic lithium ions are found in fully charged GLG and stored between its layers. The oxygen atoms introduced within the carbon layers seem to play an important role in accommodating a large amount of lithium ions in GLG. Moreover, the large increase in the interlayer spacing observed for fully charged GLG is ascribed to the migration of oxygen atoms within the carbon layer introduced in the state of C-O-C to the interlayer space maintaining one of the C-O bonds.

Lithium in the active sub-giant HD123351. A quantitative analysis with 3D and 1D model atmospheres using different observed spectra

NASA Astrophysics Data System (ADS)

Mott, A.; Steffen, M.; Caffau, E.; Strassmeier, K. G.

Current 3D hydrodynamical model atmosphere simulations together with non-LTE spectrum synthesis calculations permit to determine reliable atomic and in particular isotopic chemical abundances. Although this approach is computationally time demanding, it became feasible in studying lithium in stellar spectra. In the literature not much is known about the presence of the more fragile {6Li} isotope in evolved metal-rich objects. In this case the analysis is complicated by the lack of a suitable list of atomic and molecular lines in the spectral region of the lithium resonance line at 670.8 nm. Here we present a spectroscopic comparative analysis of the Li doublet region of HD 123351, an active sub-giant star of solar metallicity. We fit the Li profile in three observed spectra characterized by different qualities: two very-high resolution spectra (Gecko@CFHT, R=120 000, SNR=400 and PEPSI@LBT, R=150 000, SNR=663) and a high-resolution SOPHIE@OHP spectrum (R=40 000, SNR=300). We adopt a set of model atmospheres, both 3D and 1D, having different stellar parameters (T_{eff} and log g). The 3D models are taken from the CIFIST grid of COBOLD model atmospheres and departures from LTE are considered for the lithium components. For the blends other than the lithium in this wavelength region we adopt the linelist of \\citet{melendez12}. We find consistent results for all three observations and an overall good fit with the selected list of atomic and molecular lines, indicating a high {6Li} content. The presence of {6Li} is not expected in cool stellar atmospheres. Its detection is of crucial importance for understanding mixing processes in stars and external lithium production mechanisms, possibly related to stellar activity or planetray accretion of {6Li}-rich material.

Lithium-aluminum-magnesium electrode composition

DOEpatents

Melendres, Carlos A.; Siegel, Stanley

1978-01-01

A negative electrode composition is presented for use in a secondary, high-temperature electrochemical cell. The cell also includes a molten salt electrolyte of alkali metal halides or alkaline earth metal halides and a positive electrode including a chalcogen or a metal chalcogenide as the active electrode material. The negative electrode composition includes up to 50 atom percent lithium as the active electrode constituent and a magnesium-aluminum alloy as a structural matrix. Various binary and ternary intermetallic phases of lithium, magnesium, and aluminum are formed but the electrode composition in both its charged and discharged state remains substantially free of the alpha lithium-aluminum phase and exhibits good structural integrity.

Changes in the reflectivity of a lithium niobate crystal decorated with a graphene layer

NASA Astrophysics Data System (ADS)

Salas, O.; Garcés, E.; Castillo, F. L.; Magaña, L. F.

2017-01-01

Density functional theory and molecular dynamics were used to study the interaction of a graphene layer with the surface of lithium niobate. The simulations were performed at atmospheric pressure and 300K. We found that the graphene layer is physisorbed with an adsorption energy of -0.8205 eV/C-atom. Subsequently, the optical absorption of the graphene-(lithium niobate) system was calculated and compared with that of graphene solo and lithium niobate alone, respectively. The calculations were performed using the Quantum Espresso code with the GGA approximation and Vdw-DF2 (which includes long-range correlation effects as Van der Waals interactions).

Compton scattering study of electron momentum distribution in lithium fluoride using 662 keV gamma radiations

NASA Astrophysics Data System (ADS)

Vijayakumar, R.; Shivaramu; Ramamurthy, N.; Ford, M. J.

2008-12-01

Here we report the first ever 137Cs Compton spectroscopy study of lithium fluoride. The spherical average Compton profiles of lithium fluoride are deduced from Compton scattering measurements on poly crystalline sample at gamma ray energy of 662 keV. To compare the experimental data, we have computed the spherical average Compton profiles using self-consistent Hartree-Fock wave functions employed on linear combination of atomic orbital (HF-LCAO) approximation. The directional Compton profiles and their anisotropic effects are also calculated using the same HF-LCAO approximation. The experimental spherical average profiles are found to be in good agreement with the corresponding HF-LCAO calculations and in qualitative agreement with Hartree-Fock free atom values. The present experimental isotropic and calculated directional profiles are also compared with the available experimental isotropic and directional Compton profiles using 59.54 and 159 keV γ-rays.

Neutral Wind Observations below 200 km altitudes

NASA Astrophysics Data System (ADS)

Watanabe, S.; Abe, T.; Habu, H.; Kakinami, Y.; Larsen, M. F.; Pfaff, R. F., Jr.; Yamamoto, M.

2015-12-01

Neutral Wind Observations below 200 km altitudesS. Watanabe1, T. Abe2, H. Habu2, Y. Kakinami3, M. Larsen4, R. Pfaff5, M. Yamamoto6, M-Y. Yamamoto31Hokkaido University/Hokkaido Information University, 2JAXA/ISAS, 3Kochi University of Technology, 4Clemson University, 5NASA/Goddard Space Flight Center, 6Kyoto University, Neutral wind in the thermosphere is one of the key parameters to understand the ionosphere-thermosphere coupling process. JAXA/ISAS successfully launched sounding rockets from Uchinoura Space Center (USC) on September 2, 2007, January 12, 2012, and July 20, 2013, and NASA launched sounding rockets from Kwajalein on May 7, 2013 and from Wallops on July 4, 2013. The rockets installed Lithium and/or TMA canisters as well as instruments for plasma and electric and magnetic fields. The atomic Lithium gases were released at altitudes between 150 km and 300 km in the evening on September 2, 2007, at altitude of ~100 km in the morning on January 12, 2012, at altitude of ~120km in the midnight on July 20, 2013, at altitude between 150 km and 300 km in the evening on May 7, 2013 and at altitude of ~150 km in the noon on July 4, 2013. The Lithium atoms were scattering sunlight by resonance scattering with wavelength of 670nm. However, the Lithium atoms scattered moon light on July 20, 2013. The moon light scattering is the first time to use for thermospheric wind measurement in the midnight. The Lithium clouds/trails and TMA trails showed clearly the neutral wind shears and atmospheric waves at ~150 km altitude in the lower thermosphere for all local time.

High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heymann, Gunter, E-mail: Gunter.Heymann@uibk.ac.at; Niehaus, Oliver; Krüger, Hannes

The new lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P2{sub 1}/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li{sub 2}Pd{sub 3}S{sub 4} and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li{sub 2}Pt{sub 3}S{sub 4}. The crystal structures are built up from two distinct Pd/Pt sites, one of whichmore » is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS{sub 4}/PtS{sub 4} units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS{sub 4}/PtS{sub 4} units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu{sub 2}Pd{sub 3}Se{sub 4} and chrisstanleyite, Ag{sub 2}Pd{sub 3}Se{sub 4}, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state {sup 7}Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites. - Graphical abstract: The ternary lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were prepared via multianvil high-pressure/high-temperature syntheses. They are built up from square planar PtS{sub 4}/PdS{sub 4} units with lithium located in the channels of the crystal structure. - Highlights: • Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are the missing sulfide analogue compounds to Cu{sub 2}Pd{sub 3}Se{sub 4} and Ag{sub 2}Pd{sub 3}Se{sub 4}. • The compounds are the first Pd or Pt containing lithium transition-metal sulfides. • Li mobility was investigated via temp. dependent XRD and solid state {sup 7}Li NMR. • Magnetic properties revealed Pauli paramagnetic or diamagnetic contributions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Senaratne, Ruwan, E-mail: rsenarat@physics.ucsb.edu; Rajagopal, Shankari V.; Geiger, Zachary A.

We present a simple and inexpensive design for a multichannel effusive oven nozzle which provides improved atomic beam collimation and thus extended oven lifetimes. Using this design, we demonstrate an atomic lithium source suitable for trapped-atom experiments. At a nozzle temperature of 525 °C, the collimated atomic beam flux directly after the nozzle is 1.2 × 10{sup 14} atoms/s with a peak beam intensity greater than 5.0 × 10{sup 16} atoms/s/sr. This suggests an oven lifetime of several decades of continuous operation.

Mixtures of Bosonic and Fermionic atoms

NASA Astrophysics Data System (ADS)

Albus, Alexander

2003-12-01

The theory of atomic Boson-Fermion mixtures in the dilute limit beyond mean-field is considered in this thesis. Extending the formalism of quantum field theory we derived expressions for the quasi-particle excitation spectra, the ground state energy, and related quantities for a homogenous system to first order in the dilute gas parameter. In the framework of density functional theory we could carry over the previous results to inhomogeneous systems. We then determined to density distributions for various parameter values and identified three different phase regions: (i) a stable mixed regime, (ii) a phase separated regime, and (iii) a collapsed regime. We found a significant contribution of exchange-correlation effects in the latter case. Next, we determined the shift of the Bose-Einstein condensation temperature caused by Boson-Fermion interactions in a harmonic trap due to redistribution of the density profiles. We then considered Boson-Fermion mixtures in optical lattices. We calculated the criterion for stability against phase separation, identified the Mott-insulating and superfluid regimes both, analytically within a mean-field calculation, and numerically by virtue of a Gutzwiller Ansatz. We also found new frustrated ground states in the limit of very strong lattices. ----Anmerkung: Der Autor ist Träger des durch die Physikalische Gesellschaft zu Berlin vergebenen Carl-Ramsauer-Preises 2004 für die jeweils beste Dissertation der vier Universitäten Freie Universität Berlin, Humboldt-Universität zu Berlin, Technische Universität Berlin und Universität Potsdam. Ziel der Arbeit war die systematische theoretische Behandlung von Gemischen aus bosonischen und fermionischen Atomen in einem Parameterbereich, der sich zur Beschreibung von aktuellen Experimenten mit ultra-kalten atomaren Gasen eignet. Zuerst wurde der Formalismus der Quantenfeldtheorie auf homogene, atomare Boson-Fermion Gemische erweitert, um grundlegende Größen wie Quasiteilchenspektren, die Grundzustandsenergie und daraus abgeleitete Größen über die Molekularfeldtheorie hinaus zu berechnen. Unter Zuhilfenahme der dieser Resultate System wurde ein Boson-Fermion Gemisch in einem Fallenpotential im Rahmen der Dichtefunktionaltheorie beschrieben. Daraus konnten die Dichteprofile ermittelt werden und es ließen sich drei Bereiche im Phasendiagramm identifizieren: (i) ein Bereich eines stabilen Gemisches, (ii) ein Bereich, in dem die Spezies entmischt sind und (iii) ein Bereich, in dem das System kollabiert. Im letzten dieser drei Fällen waren Austausch--Korrelationseffekte signifikant. Weiterhin wurde die Änderung der kritischen Temperatur der Bose-Einstein-Kondensation aufgrund der Boson-Fermion-Wechselwirkung berechnet. Verursacht wird dieser Effekt von Dichtumverteilungen aufgrund der Wechselwirkung. Dann wurden Boson-Fermion Gemische in optischen Gittern betrachtet. Ein Stabilitätskriterium gegen Phasenentmischung wurde gefunden und es ließen sich Bedingungen für einen supraflüssig zu Mott-isolations Phasenübergang angeben. Diese wurden sowohl mittels einer Molekularfeldrechnung als auch numerisch im Rahmen eines Gutzwilleransatzes gefunden. Es wurden weiterhin neuartige frustrierte Grundzustände im Fall von sehr großen Gitterstärken gefunden.

Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces

DOE PAGES

Leung, Kevin; Jungjohann, Katherine L.

2017-09-08

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium metal anodes for batteries with increased power densities. Nanoscale surface heterogeneities can be “hot spots” where anode passivation breaks down. Motivated by the observation of lithium dendrites in pores and grain boundaries in all-solid batteries, we examine lithium metal surfaces covered with Li 2O and/or LiF thin films with grain boundaries in them. Electronic structure calculations show that at >0.25 V computed equilibrium overpotential Li 2O grain boundaries with sufficiently large pores can accommodate Li0 atoms which aid e– leakage and passivationmore » breakdown. Strain often accompanies Li insertion; applying an ~1.7% strain already lowers the computed overpotential to 0.1 V. Lithium metal nanostructures as thin as 12 Å are thermodynamically favored inside cracks in Li 2O films, becoming “incipient lithium filaments”. LiF films are more resistant to lithium metal growth. Finally, the models used herein should in turn inform passivating strategies in all-solid-state batteries.« less

Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leung, Kevin; Jungjohann, Katherine L.

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium metal anodes for batteries with increased power densities. Nanoscale surface heterogeneities can be “hot spots” where anode passivation breaks down. Motivated by the observation of lithium dendrites in pores and grain boundaries in all-solid batteries, we examine lithium metal surfaces covered with Li 2O and/or LiF thin films with grain boundaries in them. Electronic structure calculations show that at >0.25 V computed equilibrium overpotential Li 2O grain boundaries with sufficiently large pores can accommodate Li0 atoms which aid e– leakage and passivationmore » breakdown. Strain often accompanies Li insertion; applying an ~1.7% strain already lowers the computed overpotential to 0.1 V. Lithium metal nanostructures as thin as 12 Å are thermodynamically favored inside cracks in Li 2O films, becoming “incipient lithium filaments”. LiF films are more resistant to lithium metal growth. Finally, the models used herein should in turn inform passivating strategies in all-solid-state batteries.« less

SnO2@TiO2 double-shell nanotubes for a lithium ion battery anode with excellent high rate cyclability.

PubMed

Jeun, Jeong-Hoon; Park, Kyu-Young; Kim, Dai-Hong; Kim, Won-Sik; Kim, Hong-Chan; Lee, Byoung-Sun; Kim, Honggu; Yu, Woong-Ryeol; Kang, Kisuk; Hong, Seong-Hyeon

2013-09-21

SnO2@TiO2 double-shell nanotubes have been facilely synthesized by atomic layer deposition (ALD) using electrospun PAN nanofibers as templates. The double-shell nanotubes exhibited excellent high rate cyclability for lithium ion batteries. The retention of hollow structures during cycling was demonstrated.

Revision of the Li13Si4 structure.

PubMed

Zeilinger, Michael; Fässler, Thomas F

2013-11-06

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li-Si system is the phase Li13Si4 (trideca-lithium tetra-silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10-13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si-Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si-Si dumbbells at z = 0.5.

Two-dimensional triangular lattice and its application to lithium-intercalated layered compounds

NASA Astrophysics Data System (ADS)

Decerqueira, R. O.

1982-08-01

Good rechargeable batteries are being searched for use in electric vehicles and in energy storage during off-peak consumption periods and from solar sources. The interest in lithium intercalation compounds has been recently enhanced by the search for such batteries. The process of intercalation of lithium in several transition metal dichalcogenides can provide an emf of several volts. The progress achieved in the last decade in the investigation of these intercalates has been facilitated by the availability of the dichalcogenides as single crystals and by their chemical stability. The transition-metal dichalcogenides and their Li-intercalates are studied, with emphasis on the Li/su xTa/sub yTi/sub l-y/S2 series. The interactions between the Li atoms and the applicability of a lattice gas model to the problem of ordering of these atoms is discussed. A formulation is presented of the cluster-variation aproximation to the lattice gas problem. The single-site and the nearest-neighbor triangle basic clusters are considered as models for Li/sub x TiS2. Also a theory is presented for the effects of a random distribution of different species of host atoms, as in Ta/sub y/Ti/sub l-y/S2.

SU(N ) fermions in a one-dimensional harmonic trap

NASA Astrophysics Data System (ADS)

Laird, E. K.; Shi, Z.-Y.; Parish, M. M.; Levinsen, J.

2017-09-01

We conduct a theoretical study of SU (N ) fermions confined by a one-dimensional harmonic potential. First, we introduce a numerical approach for solving the trapped interacting few-body problem, by which one may obtain accurate energy spectra across the full range of interaction strengths. In the strong-coupling limit, we map the SU (N ) Hamiltonian to a spin-chain model. We then show that an existing, extremely accurate ansatz—derived for a Heisenberg SU(2) spin chain—is extendable to these N -component systems. Lastly, we consider balanced SU (N ) Fermi gases that have an equal number of particles in each spin state for N =2 ,3 ,4 . In the weak- and strong-coupling regimes, we find that the ground-state energies rapidly converge to their expected values in the thermodynamic limit with increasing atom number. This suggests that the many-body energetics of N -component fermions may be accurately inferred from the corresponding few-body systems of N distinguishable particles.

Non-Abelian states of matter.

PubMed

Stern, Ady

2010-03-11

Quantum mechanics classifies all elementary particles as either fermions or bosons, and this classification is crucial to the understanding of a variety of physical systems, such as lasers, metals and superconductors. In certain two-dimensional systems, interactions between electrons or atoms lead to the formation of quasiparticles that break the fermion-boson dichotomy. A particularly interesting alternative is offered by 'non-Abelian' states of matter, in which the presence of quasiparticles makes the ground state degenerate, and interchanges of identical quasiparticles shift the system between different ground states. Present experimental studies attempt to identify non-Abelian states in systems that manifest the fractional quantum Hall effect. If such states can be identified, they may become useful for quantum computation.

Dynamics of entanglement entropy of interacting fermions in a 1D driven harmonic trap

NASA Astrophysics Data System (ADS)

McKenney, Joshua R.; Porter, William J.; Drut, Joaquín E.

2018-03-01

Following up on a recent analysis of two cold atoms in a time-dependent harmonic trap in one dimension, we explore the entanglement entropy of two and three fermions in the same situation when driven through a parametric resonance. We find that the presence of such a resonance in the two-particle system leaves a clear imprint on the entanglement entropy. We show how the signal is modified by attractive and repulsive contact interactions, and how it remains present for the three-particle system. Additionaly, we extend the work of recent experiments to demonstrate how restricting observation to a limited subsystem gives rise to locally thermal behavior.

Aqua(pentahydrogennitrilotris(methylenephosphonato))lithium hydrate [Li(H{sub 2}O)(N(CH{sub 2}PO{sub 3}){sub 3}H{sub 5})] • H{sub 2}O: Synthesis and structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Somov, N. V., E-mail: somov@phys.unn.ru; Chausov, F. F., E-mail: xps@ftiudm.ru; Zakirova, R. M., E-mail: ftt@udsu.ru

Aqua(pentahydrogennitrilotris(methylenephosphonato))lithium hydrate is a linear coordination polymer. Its crystal structure is described in space group P{sup –}1, Z = 2; a = 5.5732(2), b = 7.0106(2), and c = 16.9010(5) Å; α = 97.515(2)°, β = 94.551(2)°, and γ = 95.123(2)°. The tetrahedral coordination of the Li atom includes two oxygen atoms of a phosphonate ligand, one oxygen atom of another phosphonate ligand, and a water molecule. Complex formation is accompanied by closing of the eight-membered Li–O–P–C–N–C–P–O chelate ring. Polymeric chains run along the [100] direction. The chains are connected by hydrogen bonds.

In-situ and Ex-situ Observations of Lithium De-intercalation from LiCoO2: Atomic Force Microscopy and Transmission Electron Microscopy Studies

DTIC Science & Technology

2005-06-01

has a layered structure consisting of lithium and cobalt sheets stacked alternatively between oxygen sheets. Li and Co occupy octahedral sites in...cobalt sheets stacked alternatively between ABCABC close-packed oxygen arrays. Li and Co occupy octahedral sites in alternating layers between the oxygen... Co 4.- o 4 Li Figure 1: Crystal structure of LiCoO2. LiCoO2 has a layered structure consisting of lithium and cobalt sheets stacked alternatively

BCS to BEC evolution for mixtures of fermions with unequal masses

NASA Astrophysics Data System (ADS)

de Melo, Carlos A. R. Sa

2009-03-01

I discuss the zero and finite temperature phase diagrams of a mixture of fermions with unequal masses with and without population imbalance, which may correspond for example to mixtures of ^6Li and ^40K, ^6Li and ^87Sr, or ^40K and ^87Sr in the context of ultracold atoms. At zero temperature and when excess fermions are present, at least three phases may occur as the interaction parameter is changed from the BCS to the BEC regime. These phases correspond to normal, phase separation, or superfluid with coexistence between paired and excess fermions. The zero temperature phase diagram of population imbalance versus interaction parameter presents a remarkable asymmetry between the cases involving excess lighter or heavier fermions [1, 2], in sharp contrast with the symmetric phase diagram corresponding to the case of equal masses. At finite temperatures, the phase separation region of the phase diagram competes with superfluid regions possessing gapless elementary excitations [3] for certain ranges of the interaction parameter depending on the mass ratio. Furthermore, a phase transition may take place between two superfluid phases which are topologically distinct. The precise location of such transition is sensitive to the mass ratio between the two species of fermions. Signatures of this possible topological transition are present in the momentum distribution or structure factor, which may be measured experimentally in time-of-flight or through Bragg scattering, respectively. Lastly, throughout the evolution from BCS to BEC, I discuss the critical current and sound velocity for unequal mass systems as a function of interaction parameter and mass ratio. These quantities may also be measured via the same techniques already used in mixtures of fermions with equal masses. [1] M. Iskin, and C. A. R. Sa de Melo, Phys. Rev. Lett. 97, 100404 (2006). [2] M. Iskin and C. A. R. Sa de Melo, Phys. Rev. A 76, 013601 (2007). [3] Li Han, and C. A. R. Sa de Melo, arXiv:0812.xxxx

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

NASA Astrophysics Data System (ADS)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Density functional of a two-dimensional gas of dipolar atoms: Thomas-Fermi-Dirac treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, Bess; Englert, Berthold-Georg

We derive the density functional for the ground-state energy of a two-dimensional, spin-polarized gas of neutral fermionic atoms with magnetic-dipole interaction, in the Thomas-Fermi-Dirac approximation. For many atoms in a harmonic trap, we give analytical solutions for the single-particle spatial density and the ground-state energy, in dependence on the interaction strength, and we discuss the weak-interaction limit that is relevant for experiments. We then lift the restriction of full spin polarization and account for a time-independent inhomogeneous external magnetic field. The field strength necessary to ensure full spin polarization is derived.

Atom Interferometer Modeling Tool

DTIC Science & Technology

2011-08-08

present, LiveAtom supports the alkali metals from Lithium to Cesium. LiveAtom will also show where atoms in the equilibrium state will sit if a trap is...Address: 7105 La Vista Pl . Niwot, CO 80503 Phone Number: 303-652-0725 The views and conclusions contained in this document are those of the authors...0704-0188 Public reporting burden for the collection of information is estimated to average 1 hour per response, including the time for reviewing

Amorphous and Crystalline Vanadium Oxides as High-Energy and High-Power Cathodes for Three-Dimensional Thin-Film Lithium Ion Batteries.

PubMed

Mattelaer, Felix; Geryl, Kobe; Rampelberg, Geert; Dendooven, Jolien; Detavernier, Christophe

2017-04-19

Flexible wearable electronics and on-chip energy storage for wireless sensors drive rechargeable batteries toward thin-film lithium ion batteries. To enable more charge storage on a given surface, higher energy density materials are required, while faster energy storage and release can be obtained by going to thinner films. Vanadium oxides have been examined as cathodes in classical and thin-film lithium ion batteries for decades, but amorphous vanadium oxide thin films have been mostly discarded. Here, we investigate the use of atomic layer deposition, which enables electrode deposition on complex three-dimensional (3D) battery architectures, to obtain both amorphous and crystalline VO 2 and V 2 O 5 , and we evaluate their thin-film cathode performance. Very high volumetric capacities are found, alongside excellent kinetics and good cycling stability. Better kinetics and higher volumetric capacities were observed for the amorphous vanadium oxides compared to their crystalline counterparts. The conformal deposition of these vanadium oxides on silicon micropillar structures is demonstrated. This study shows the promising potential of these atomic layer deposited vanadium oxides as cathodes for 3D all-solid-state thin-film lithium ion batteries.

Atomic layer deposition of lithium phosphates as solid-state electrolytes for all-solid-state microbatteries

NASA Astrophysics Data System (ADS)

Wang, Biqiong; Liu, Jian; Sun, Qian; Li, Ruying; Sham, Tsun-Kong; Sun, Xueliang

2014-12-01

Atomic layer deposition (ALD) has been shown as a powerful technique to build three-dimensional (3D) all-solid-state microbattery, because of its unique advantages in fabricating uniform and pinhole-free thin films in 3D structures. The development of solid-state electrolyte by ALD is a crucial step to achieve the fabrication of 3D all-solid-state microbattery by ALD. In this work, lithium phosphate solid-state electrolytes were grown by ALD at four different temperatures (250, 275, 300, and 325 °C) using two precursors (lithium tert-butoxide and trimethylphosphate). A linear dependence of film thickness on ALD cycle number was observed and uniform growth was achieved at all four temperatures. The growth rate was 0.57, 0.66, 0.69, and 0.72 Å/cycle at deposition temperatures of 250, 275, 300, and 325 °C, respectively. Furthermore, x-ray photoelectron spectroscopy confirmed the compositions and chemical structures of lithium phosphates deposited by ALD. Moreover, the lithium phosphate thin films deposited at 300 °C presented the highest ionic conductivity of 1.73 × 10-8 S cm-1 at 323 K with ˜0.51 eV activation energy based on the electrochemical impedance spectroscopy. The ionic conductivity was calculated to be 3.3 × 10-8 S cm-1 at 26 °C (299 K).

An environmental benign process for cobalt and lithium recovery from spent lithium-ion batteries by mechanochemical approach.

PubMed

Wang, Meng-Meng; Zhang, Cong-Cong; Zhang, Fu-Shen

2016-05-01

In the current study, an environmental benign process namely mechanochemical approach was developed for cobalt and lithium recovery from spent lithium-ion batteries (LIBs). The main merit of the process was that neither corrosive acid nor strong oxidant was applied. In the proposed process, lithium cobalt oxide (obtained from spent LIBs) was firstly co-grinded with various additives in a hermetic ball milling system, then Co and Li could be easily recovered by a water leaching procedure. It was found that EDTA was the most suitable co-grinding reagent, and 98% of Co and 99% of Li were respectively recovered under optimum conditions: LiCoO2 to EDTA mass ratio 1:4, milling time 4h, rotary speed 600r/min and ball-to-powder mass ratio 80:1, respectively. Mechanisms study implied that lone pair electrons provided by two nitrogen atoms and four hydroxyl oxygen atoms of EDTA could enter the empty orbit of Co and Li by solid-solid reaction, thus forming stable and water-soluble metal chelates Li-EDTA and Co-EDTA. Moreover, the separation of Co and Li could be achieved through a chemical precipitation approach. This study provides a high efficiency and environmentally friendly process for Co and Li recovery from spent LIBs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Quantum Phase Transitions in the Bose Hubbard Model and in a Bose-Fermi Mixture

NASA Astrophysics Data System (ADS)

Duchon, Eric Nicholas

Ultracold atomic gases may be the ultimate quantum simulator. These isolated systems have the lowest temperatures in the observable universe, and their properties and interactions can be precisely and accurately tuned across a full spectrum of behaviors, from few-body physics to highly-correlated many-body effects. The ability to impose potentials on and tune interactions within ultracold gases to mimic complex systems mean they could become a theorist's playground. One of their great strengths, however, is also one of the largest obstacles to this dream: isolation. This thesis touches on both of these themes. First, methods to characterize phases and quantum critical points, and to construct finite temperature phase diagrams using experimentally accessible observables in the Bose Hubbard model are discussed. Then, the transition from a weakly to a strongly interacting Bose-Fermi mixture in the continuum is analyzed using zero temperature numerical techniques. Real materials can be emulated by ultracold atomic gases loaded into optical lattice potentials. We discuss the characteristics of a single boson species trapped in an optical lattice (described by the Bose Hubbard model) and the hallmarks of the quantum critical region that separates the superfluid and the Mott insulator ground states. We propose a method to map the quantum critical region using the single, experimentally accessible, local quantity R, the ratio of compressibility to local number fluctuations. The procedure to map a phase diagram with R is easily generalized to inhomogeneous systems and generic many-body Hamiltonians. We illustrate it here using quantum Monte Carlo simulations of the 2D Bose Hubbard model. Secondly, we investigate the transition from a degenerate Fermi gas weakly coupled to a Bose Einstein condensate to the strong coupling limit of composite boson-fermion molecules. We propose a variational wave function to investigate the ground state properties of such a Bose-Fermi mixture with equal population, as a function of increasing attraction between bosons and fermions. The variational wave function captures the weak and the strong coupling limits and at intermediate coupling we make two predictions using zero temperature quantum Monte Carlo methods: (I) a complete destruction of the atomic Fermi surface and emergence of a molecular Fermi sea that coexists with a remnant of the Bose-Einstein condensate, and (II) evidence for enhanced short-ranged fermion-fermion correlations mediated by bosons.

Lithium effects on the mechanical and electronic properties of germanium nanowires

NASA Astrophysics Data System (ADS)

González-Macías, A.; Salazar, F.; Miranda, A.; Trejo-Baños, A.; Pérez, L. A.; Carvajal, E.; Cruz-Irisson, M.

2018-04-01

Semiconductor nanowire arrays promise rapid development of a new generation of lithium (Li) batteries because they can store more Li atoms than conventional crystals due to their large surface areas. During the charge-discharge process, the electrodes experience internal stresses that fatigue the material and limit the useful life of the battery. The theoretical study of electronic and mechanical properties of lithiated nanowire arrays allows the designing of electrode materials that could improve battery performance. In this work, we present a density functional theory study of the electronic band structure, formation energy, binding energy, and Young’s modulus (Y) of hydrogen passivated germanium nanowires (H-GeNWs) grown along the [111] and [001] crystallographic directions with surface and interstitial Li atoms. The results show that the germanium nanowires (GeNWs) with surface Li atoms maintain their semiconducting behavior but their energy gap size decreases when the Li concentration grows. In contrast, the GeNWs can have semiconductor or metallic behavior depending on the concentration of the interstitial Li atoms. On the other hand, Y is an indicator of the structural changes that GeNWs suffer due to the concentration of Li atoms. For surface Li atoms, Y stays almost constant, whereas for interstitial Li atoms, the Y values indicate important structural changes in the GeNWs.

Boson localization and universality in YBa2Cu(3-x)M(x)O(7-delta)

NASA Technical Reports Server (NTRS)

Kallio, A.; Apaja, V.; Poykko, S.

1995-01-01

We consider a two component mixture of charged fermions on neutralizing background with all sign combinations and arbitrarily small mass ratios. In the two impurity limit for the heavier component we show that the pair forms a bound state for all charge combinations. In the lowest order approximation we derive a closed form expression Veff(r) for the binding potential which has short-range repulsion followed by attraction. In the classical limit, when the mass of embedded particles is large m2 much greater than m, we can calculate from Veff(r) also the cohesive energy E and the bond length R of a metallic crystal such as lithium. The lowest order result is R = 3.1 A, E = -0.9 eV, not entirely different from the experimental result for lithium metal. The same interaction for two holes on a parabolic band with m2 greater than m gives the quantum mechanical bound state which one may interpret as a boson or local pair in the case of high-Te and heavy fermion superconductors. We also show that for compounds of the type YBa2Cu(3 - x)M(x)O(7 - delta) one can understand most of the experimental results for the superconducting and normal states with a single temperature dependent boson breaking function f(T) for each impurity content x governing the decay of bosons into pairing fermions. In the normal state f(T) turns out to be a linear, universal function, independent of the impurity content I and the oxygen content delta. We predict with universality a depression in Tc(x) with slight down bending in agreement with experiment. As a natural consequence of the model the bosons become localized slightly above Tc due to the Wigner crystallization, enhanced with lattice local field minima. The holes remain delocalized with a linearly increasing concentration in the normal state, thus explaining the rising Hall density. The boson localization temperature T(sub BL) shows up as a minimum in the Hall density R(sub ab)(exp -1). We also give explanation for very recently observed scaling of temperature dependent Hall effect in La(2 - x)Sr(x)CuO4.

Boson localization and universality in YBa2Cu(3-x)M(x)O(7-delta)

NASA Astrophysics Data System (ADS)

Kallio, A.; Apaja, V.; Poykko, S.

1995-04-01

We consider a two component mixture of charged fermions on neutralizing background with all sign combinations and arbitrarily small mass ratios. In the two impurity limit for the heavier component we show that the pair forms a bound state for all charge combinations. In the lowest order approximation we derive a closed form expression Veff(r) for the binding potential which has short-range repulsion followed by attraction. In the classical limit, when the mass of embedded particles is large m2 much greater than m, we can calculate from Veff(r) also the cohesive energy E and the bond length R of a metallic crystal such as lithium. The lowest order result is R = 3.1 A, E = -0.9 eV, not entirely different from the experimental result for lithium metal. The same interaction for two holes on a parabolic band with m2 greater than m gives the quantum mechanical bound state which one may interpret as a boson or local pair in the case of high-Te and heavy fermion superconductors. We also show that for compounds of the type YBa2Cu(3 - x)M(x)O(7 - delta) one can understand most of the experimental results for the superconducting and normal states with a single temperature dependent boson breaking function f(T) for each impurity content x governing the decay of bosons into pairing fermions. In the normal state f(T) turns out to be a linear, universal function, independent of the impurity content I and the oxygen content delta. We predict with universality a depression in Tc(x) with slight down bending in agreement with experiment. As a natural consequence of the model the bosons become localized slightly above Tc due to the Wigner crystallization, enhanced with lattice local field minima. The holes remain delocalized with a linearly increasing concentration in the normal state, thus explaining the rising Hall density. The boson localization temperature T(sub BL) shows up as a minimum in the Hall density R(sub ab)(exp -1). We also give explanation for very recently observed scaling of temperature dependent Hall effect in La(2 - x)Sr(x)CuO4.

Scanning tunneling spectroscopy of the surface states of Dirac fermions in thermoelectrics based on bismuth telluride

NASA Astrophysics Data System (ADS)

Lukyanova, L. N.; Makarenko, I. V.; Usov, O. A.; Dementev, P. A.

2018-05-01

The morphology of the interlayer van der Waals surface and differential tunneling conductance in p-Bi2‑xSbxTe3‑ySey solid solutions were studied by scanning tunneling microscopy and spectroscopy in dependence on compositions. The topological characteristics of the Dirac fermion surface states were determined. It was shown that the thermoelectric power factor and the material parameter enhance with the shift of the Dirac point to the top of the valence band with the increasing of atomic substitution in these thermoelectrics. A correlation between topological characteristics, power factor and material parameters was found. A growth contribution of the surface states is determined by an increase of the Fermi velocity for large atomic substitutions of Bi at x > 1.5 and small substitutions in the Te sublattice (y = 0.06). In compositions with smaller substitutions at x = (1–1.3) and y = (0.06–0.09), similar effect of the surface states is determined by raising the surface concentration of charge carriers.

Spontaneous Vortices in Imbalance Populated Fermion Gas, Finite Size System

NASA Astrophysics Data System (ADS)

Su, Jung-Jung; Shim, Yun-Pil; Duine, Rembert; MacDonald, Allan H.

2006-05-01

Atomic Fermion gases with mismatched densities have attracted much interest recently both experimentally and theoretically. These gases are related to superconductors in a magnetic field, to color superconductivity in high density QCD and to other systems. The main focus of recent research is on the possibility of unusual pairing states, the Larkin-Ovchinnikov-Fulde-Ferrel(LOFF)[1] phase, the Deformed Fermi surface(DFS)[2] and other states have been suggested in the past few years. We work specifically on two-dimensional systems with circular hard walls which contain atoms with two different hyperfine states and different populations. In addition to phase separation, a phenomenon that has already been observed[3], we consider the possibility of the spontaneous formation of vortices and giant vortices in some regions of parameter space. [1] Qinghong Cui, C.-R. Hu, J.Y.T. Wei, and Kun Yang, cond-mat/0510717 [2] Armen Sedrakian, Jordi Mur-Petit, Artur Polls, Herbert M"uther , cond-mat/0404577 [3] Guthrie B. Partridge, Wenhui Li, Ramsey I. Kamar, Yean-an Liao, Randall G. Hulet, cond-mat/0511752

Revision of the Li13Si4 structure

PubMed Central

Zeilinger, Michael; Fässler, Thomas F.

2013-01-01

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li–Si system is the phase Li13Si4 (trideca­lithium tetra­silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10–13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si–Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si–Si dumbbells at z = 0.5. PMID:24454148

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

PubMed Central

Xie, Jin; Liao, Lei; Gong, Yongji; Li, Yanbin; Shi, Feifei; Pei, Allen; Sun, Jie; Zhang, Rufan; Kong, Biao; Subbaraman, Ram; Christensen, Jake; Cui, Yi

2017-01-01

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formation during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. The protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte. PMID:29202031

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Jin; Liao, Lei; Gong, Yongji

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formationmore » during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. In conclusion, the protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte.« less

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

DOE PAGES

Xie, Jin; Liao, Lei; Gong, Yongji; ...

2017-11-29

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formationmore » during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. In conclusion, the protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte.« less

Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures

NASA Astrophysics Data System (ADS)

Fujikake, So; Deringer, Volker L.; Lee, Tae Hoon; Krynski, Marcin; Elliott, Stephen R.; Csányi, Gábor

2018-06-01

We demonstrate how machine-learning based interatomic potentials can be used to model guest atoms in host structures. Specifically, we generate Gaussian approximation potential (GAP) models for the interaction of lithium atoms with graphene, graphite, and disordered carbon nanostructures, based on reference density functional theory data. Rather than treating the full Li-C system, we demonstrate how the energy and force differences arising from Li intercalation can be modeled and then added to a (prexisting and unmodified) GAP model of pure elemental carbon. Furthermore, we show the benefit of using an explicit pair potential fit to capture "effective" Li-Li interactions and to improve the performance of the GAP model. This provides proof-of-concept for modeling guest atoms in host frameworks with machine-learning based potentials and in the longer run is promising for carrying out detailed atomistic studies of battery materials.

Two-stage crossed beam cooling with ⁶Li and ¹³³Cs atoms in microgravity.

PubMed

Luan, Tian; Yao, Hepeng; Wang, Lu; Li, Chen; Yang, Shifeng; Chen, Xuzong; Ma, Zhaoyuan

2015-05-04

Applying the direct simulation Monte Carlo (DSMC) method developed for ultracold Bose-Fermi mixture gases research, we study the sympathetic cooling process of 6Li and 133Cs atoms in a crossed optical dipole trap. The obstacles to producing 6Li Fermi degenerate gas via direct sympathetic cooling with 133Cs are also analyzed, by which we find that the side-effect of the gravity is one of the main obstacles. Based on the dynamic nature of 6Li and 133Cs atoms, we suggest a two-stage cooling process with two pairs of crossed beams in microgravity environment. According to our simulations, the temperature of 6Li atoms can be cooled to T = 29.5 pK and T/TF = 0.59 with several thousand atoms, which propose a novel way to get ultracold fermion atoms with quantum degeneracy near pico-Kelvin.

Lithium battery electrodes with ultra-thin alumina coatings

DOEpatents

Se-Hee, Lee; George, Steven M.; Cavanagh, Andrew S.; Yoon Seok, Jung; Dillon, Anne C.

2015-11-24

Electrodes for lithium batteries are coated via an atomic layer deposition process. The coatings can be applied to the assembled electrodes, or in some cases to particles of electrode material prior to assembling the particles into an electrode. The coatings can be as thin as 2 .ANG.ngstroms thick. The coating provides for a stable electrode. Batteries containing the electrodes tend to exhibit high cycling capacities.

Lithium-drifted silicon for harsh radiation environments

NASA Astrophysics Data System (ADS)

Grant, J.; Buttar, C.; Brozel, M.; Keffous, A.; Cheriet, A.; Bourenane, K.; Bourenane, A.; Kezzoula, F.; Menari, H.

2008-06-01

A model describing the passivation by Li atoms of acceptors arising from radiation damage in Si detectors has been developed. Our studies indicate that it is possible to produce a protocol that will allow the in-situ recovery of lithium-drifted Si particle detectors under irradiation by high-energy particles. Our model for particle damage recovery is supported by preliminary results on the recovery of old, degraded detectors.

Mechanical Behavior and Processing of Aluminum Metal Matrix Composites

DTIC Science & Technology

1992-02-21

SUgeCT TERMS Spray Atomization and Co-Deposition; metal Matrix IS. NUMBER OF PAGeiS Composites; Solidification Mechanisms; Non -Equilibrium...continuously reinforced MMCs, such as: (a) fiber damage, (b) microstructural non -uniformity, (c) fiber to fiber contact, and (d) extensive...of the high reactiJity of lithium. The excessive high temperature reactivity of aluminum-lithium alloys results in the formation of non -protective

Lithium doping on covalent organic framework-320 for enhancing hydrogen storage at ambient temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia, Liangzhi, E-mail: 15004110853@163.com; Liu, Qing

2016-12-15

Density Functional Theory (DFT) combines with grand canonical Monte Carlo (GCMC) simulations are performed to explore the effect of Li doping on the hydrogen storage capability of COF-320. The results show that the interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. GCMC simulations are employed to study the hydrogen uptake of Li-doped COF-320 at ambient temperature, further confirm that the lithium doping can improve the hydrogen uptake at ambient temperature. Our results demonstrate that Li-doped COFs have good potential in the field of hydrogen storage. - Graphical abstract:more » Fig. 1. The optimized cluster model used here to represent the COF-320 and possible adsorption sites (A, B, C) for adsorption of metals in the COF-320. The dangling bonds are terminated by H atoms. C, H, and N atoms are shown as gray, white, and blue colors, respectively. Fig. 2. The adsorption isotherm of H{sub 2} in the pristine and Li-doped COF-320 at 298 K. - Highlights: • The binding sites of single and two lithium atoms in COF-320 were studied. • The interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. • H{sub 2} uptakes on the Li-doped COFs obtain significant improvement at ambient temperature. • Lithium-doping is a successful strategy for improving hydrogen uptake.« less

Protective coating on positive lithium-metal-oxide electrodes for lithium batteries

DOEpatents

Johnson, Christopher S.; Thackeray, Michael M.; Kahaian, Arthur J.

2006-05-23

A positive electrode for a non-aqueous lithium cell comprising a LiMn_2-xM_xO₄ spinel structure in which M is one or more metal cations with an atomic number less than 52, such that the average oxidation state of the manganese ions is equal to or greater than 3.5, and in which 0.ltoreq.x.ltoreq.0.15, having one or more lithium spine oxide LiM'₂O₄ or lithiated spinel oxide Li_1+yM'₂O₄ compounds on the surface thereof in which M' are cobalt cations and in which 0.ltoreq.y.ltoreq.1.

Influence of trapping potentials on the phase diagram of bosonic atoms in optical lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giampaolo, S.M.; Illuminati, F.; Mazzarella, G.

2004-12-01

We study the effect of external trapping potentials on the phase diagram of bosonic atoms in optical lattices. We introduce a generalized Bose-Hubbard Hamiltonian that includes the structure of the energy levels of the trapping potential, and show that these levels are in general populated both at finite and zero temperature. We characterize the properties of the superfluid transition for this situation and compare them with those of the standard Bose-Hubbard description. We briefly discuss similar behaviors for fermionic systems.

Correlation energy for elementary bosons: Physics of the singularity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiau, Shiue-Yuan, E-mail: syshiau@mail.ncku.edu.tw; Combescot, Monique; Chang, Yia-Chung, E-mail: yiachang@gate.sinica.edu.tw

2016-04-15

We propose a compact perturbative approach that reveals the physical origin of the singularity occurring in the density dependence of correlation energy: like fermions, elementary bosons have a singular correlation energy which comes from the accumulation, through Feynman “bubble” diagrams, of the same non-zero momentum transfer excitations from the free particle ground state, that is, the Fermi sea for fermions and the Bose–Einstein condensate for bosons. This understanding paves the way toward deriving the correlation energy of composite bosons like atomic dimers and semiconductor excitons, by suggesting Shiva diagrams that have similarity with Feynman “bubble” diagrams, the previous elementary bosonmore » approaches, which hide this physics, being inappropriate to do so.« less

Ternary lithium stannides Li xT 3Sn 7-x ( T=Rh, Ir)

NASA Astrophysics Data System (ADS)

Sreeraj, Puravankara; Kurowski, Daniel; Hoffmann, Rolf-Dieter; Wu, Zhiyun; Pöttgen, Rainer

2005-11-01

The ternary stannides Li xRh 3Sn 7-x ( x=0.45, 0.64, 0.80) and Li xIr 3Sn 7-x ( x=0.62 and 0.66) were synthesized from the elements in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. The samples were characterized by X-ray diffraction on powders and single crystals. The stannides adopt the cubic Ir 3Ge 7-type structure (space group Im3¯m, Z=4). In this structure type the tin atoms occupy the Wyckoff positions 12 d and 16 f and form two interpenetrating frameworks consisting of cubes and square antiprisms. The rhodium and iridium atoms center the square antiprisms and are arranged in pairs. With increasing lithium substitution the lattice parameter of Ir 3Sn 7 (936.7) decreases via 932.2 pm ( x=0.62) to 931.2 pm ( x=0.66), while the Ir-Ir distance remains almost the same (290 pm). A similar trend is observed for the rhodium compounds. The lithium atoms substitute Sn on both framework sites. However, the 16 f site shows a substantially larger preference for Li occupation. This is in contrast to the isotypic magnesium based compounds.

Interfacial Mechanism in Lithium-Sulfur Batteries: How Salts Mediate the Structure Evolution and Dynamics.

PubMed

Lang, Shuang-Yan; Xiao, Rui-Juan; Gu, Lin; Guo, Yu-Guo; Wen, Rui; Wan, Li-Jun

2018-06-08

Lithium-sulfur batteries possess favorable potential for energy-storage applications due to their high specific capacity and the low cost of sulfur. Intensive understanding of the interfacial mechanism, especially the polysulfide formation and transformation under complex electrochemical environment, is crucial for the build-up of advanced batteries. Here we report the direct visualization of interfacial evolution and dynamic transformation of the sulfides mediated by the lithium salts via real-time atomic force microscopy monitoring inside a working battery. The observations indicate that the lithium salts influence the structures and processes of sulfide deposition/decomposition during discharge/charge. Moreover, the distinct ion interaction and diffusion in electrolytes manipulate the interfacial reactions determining the kinetics of the sulfide transformation. Our findings provide deep insights into surface dynamics of lithium-sulfur reactions revealing the salt-mediated mechanisms at nanoscale, which contribute to the profound understanding of the interfacial processes for the optimized design of lithium-sulfur batteries.

Atomic layer deposition of Al2O3 on V2O5 xerogel film for enhanced lithium-ion intercalation stability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Dawei; Liu, Yanyi; Candelaria, Stephanie L.

V2O5 xerogel films were fabricated by casting V2O5 sols onto fluorine-doped tin oxide glass substrates at room temperature. Five, ten and twenty atomic layers of Al2O3 were grown onto as-fabricated films respectively. The bare film and Al2O3-deposited films all exhibited hydrous V2O5 phase only. Electrochemical impedance spectroscopy study revealed increased surface charge-transfer resistance of V2O5 films as more Al2O3 atomic layers were deposited. Lithium-ion intercalation tests at 600 mAg_1 showed that bare V2O5 xerogel film possessed high initial discharge capacity of 219 mAhg_1 but suffered from severe capacity degradation, i.e., having only 136 mAhg_1 after 50 cycles. After deposition ofmore » ten atomic layers of Al2O3, the initial discharge capacity was 195 mAhg_1 but increased over cycles before stabilizing; after 50 cycles, the discharge capacity was as high as 225 mAhg_1. The noticeably improved cyclic stability of Al2O3-deposited V2O5 xerogel film could be attributed to the improved surface chemistry and enhanced mechanical strength. During repeated lithium-ion intercalation/de-intercalation, atomic layers of Al2O3 which were coated onto V2O5 surface could prevent V2O5 electrode dissolution into electrolyte by reducing direct contact between active electrode and electrolyte while at the same time acting as binder to maintain good mechanical contact between nanoparticles inside the film. VC 2012 American Vacuum Society.« less

Metastable structure of Li13Si4

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Bahmann, Silvia; Kortus, Jens

2016-04-01

The Li13Si4 phase is one out of several crystalline lithium silicide phases, which is a potential electrode material for lithium ion batteries and contains a high theoretical specific capacity. By means of ab initio methods like density functional theory (DFT) many properties such as heat capacity or heat of formation can be calculated. These properties are based on the calculation of phonon frequencies, which contain information about the thermodynamical stability. The current unit cell of "Li13Si4" given in the ICSD database is unstable with respect to DFT calculations. We propose a modified unit cell that is stable in the calculations. The evolutionary algorithm EVO found a structure very similar to the ICSD one with both of them containing metastable lithium positions. Molecular dynamic simulations show a phase transition between both structures where these metastable lithium atoms move. This phase transition is achieved by a very fast one-dimensional lithium diffusion and stabilizes this phase.

Precision atomic beam density characterization by diode laser absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oxley, Paul; Wihbey, Joseph

2016-09-15

We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident lasermore » light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10{sup −5} are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10{sup 4} atoms cm{sup −3}. The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.« less

Precision atomic beam density characterization by diode laser absorption spectroscopy.

PubMed

Oxley, Paul; Wihbey, Joseph

2016-09-01

We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident laser light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10 -5 are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10 4 atoms cm -3 . The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.

Manipulating Electromagnetic Local Density of States by Graphene Plasmonics

DTIC Science & Technology

2015-07-01

1) where h̄ is the reduced Plank’s constant, fd() =( e(−μc)/kBT + 1 )−1 is the Fermi - Dirac distribution , and kB is the Boltzmann’s constant...sheet of carbon atoms bonded in a honeycomb lattice. Due to a unique energy-momentum relationship, electrons in graphene behave like Dirac fermions [6

Encapsulation of redox polysulphides via chemical interaction with nitrogen atoms in the organic linkers of metal-organic framework nanocrystals

PubMed Central

Park, Jung Hyo; Choi, Kyung Min; Lee, Dong Ki; Moon, Byeong Cheul; Shin, Sang Rim; Song, Min-Kyu; Kang, Jeung Ku

2016-01-01

Lithium polysulphides generated during discharge in the cathode of a lithium-sulphur redox cell are important, but their dissolution into the electrolyte from the cathode during each redox cycle leads to a shortened cycle life. Herein, we use in situ spectroelectrochemical measurements to demonstrate that sp2 nitrogen atoms in the organic linkers of nanocrystalline metal-organic framework-867 (nMOF-867) are able to encapsulate lithium polysulphides inside the microcages of nMOF-867, thus helping to prevent their dissolution into the electrolyte during discharge/charge cycles. This encapsulation mechanism of lithiated/delithiated polysulphides was further confirmed by observations of shifted FTIR spectra for the C = N and C-N bonds, the XPS spectra for the Li-N bonds from nMOF-867, and a visualization method, demonstrating that nMOF-867 prevents lithium polysulphides from being dissolved in the electrolyte. Indeed, a cathode fabricated using nMOF-867 exhibited excellent capacity retention over a long cycle life of 500 discharge/charge cycles, with a capacity loss of approximately 0.027% per cycle from a discharge capacity of 788 mAh/g at a high current rate of 835 mA/g. PMID:27149405

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE PAGES

Liu, Hao; Liu, Haodong; Lapidus, Saul H.; ...

2017-06-21

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hao; Liu, Haodong; Lapidus, Saul H.

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Li plating as unwanted side reaction in commercial Li-ion cells - A review

NASA Astrophysics Data System (ADS)

Waldmann, Thomas; Hogg, Björn-Ingo; Wohlfahrt-Mehrens, Margret

2018-04-01

Deposition of Lithium metal on anodes contributes significantly to ageing of Li-ion cells. Lithium deposition is connected not only to a drastic limitation of life-time, but also to fast-charging capability and safety issues. Lithium deposition in commercial Li-ion cells is not limited to operation conditions at low temperatures. In recent publications various types of commercial cells were investigated using complimentary analysis methods. Five cell types studied in literature (18650, 26650, pouch) serve as a basis for comparison when and why Li deposition happens in commercial Li-ion cells. In the present paper, we reviewed literature on (i) causes, (ii) hints and evidences for Li deposition, (iii) macroscopic morphology of Li deposition/plating, (iv) ageing mechanisms and shapes of capacity fade curves involving Li deposition, and (v) influences of Li deposition on safety. Although often discussed, safety issues regarding Li deposition are not only limited to dendrite growth and internal short circuits, but also to exothermic reactions in the presence of Lithium metal. Furthermore, we tried to connect knowledge from different length scales including the macroscopic level (Li-ion cells, operating conditions, gradients in cells, electrochemical tests, safety tests), the microscopic level (electrodes, particles, microstructure), and the atomic level (atoms, ions, molecules, energy barriers).

Entangled cloning of stabilizer codes and free fermions

NASA Astrophysics Data System (ADS)

Hsieh, Timothy H.

2016-10-01

Though the no-cloning theorem [Wooters and Zurek, Nature (London) 299, 802 (1982), 10.1038/299802a0] prohibits exact replication of arbitrary quantum states, there are many instances in quantum information processing and entanglement measurement in which a weaker form of cloning may be useful. Here, I provide a construction for generating an "entangled clone" for a particular but rather expansive and rich class of states. Given a stabilizer code or free fermion Hamiltonian, this construction generates an exact entangled clone of the original ground state, in the sense that the entanglement between the original and the exact copy can be tuned to be arbitrarily small but finite, or large, and the relation between the original and the copy can also be modified to some extent. For example, this Rapid Communication focuses on generating time-reversed copies of stabilizer codes and particle-hole transformed ground states of free fermion systems, although untransformed clones can also be generated. The protocol leverages entanglement to simulate a transformed copy of the Hamiltonian without having to physically implement it and can potentially be realized in superconducting qubits or ultracold atomic systems.

Theoretical survey on positronium formation and ionisation in positron atom scattering

NASA Technical Reports Server (NTRS)

Basu, Madhumita; Ghosh, A. S.

1990-01-01

The recent theoretical studies are surveyed and reported on the formation of exotic atoms in positron-hydrogen, positron-helium and positron-lithium scattering specially at intermediate energy region. The ionizations of these targets by positron impact was also considered. Theoretical predictions for both the processes are compared with existing measured values.

POLARIZED SCATTERING OF LIGHT FOR ARBITRARY MAGNETIC FIELDS WITH LEVEL-CROSSINGS FROM THE COMBINATION OF HYPERFINE AND FINE STRUCTURE SPLITTINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sowmya, K.; Nagendra, K. N.; Sampoorna, M.

2015-12-01

Interference between magnetic substates of the hyperfine structure states belonging to different fine structure states of the same term influences the polarization for some of the diagnostically important lines of the Sun's spectrum, like the sodium and lithium doublets. The polarization signatures of this combined interference contain information on the properties of the solar magnetic fields. Motivated by this, in the present paper, we study the problem of polarized scattering on a two-term atom with hyperfine structure by accounting for the partial redistribution in the photon frequencies arising due to the Doppler motions of the atoms. We consider the scatteringmore » atoms to be under the influence of a magnetic field of arbitrary strength and develop a formalism based on the Kramers–Heisenberg approach to calculate the scattering cross section for this process. We explore the rich polarization effects that arise from various level-crossings in the Paschen–Back regime in a single scattering case using the lithium atomic system as a concrete example that is relevant to the Sun.« less

Quasi-One-Dimensional Ultracold Fermi Gases

NASA Astrophysics Data System (ADS)

Revelle, Melissa C.

Ultracold atoms have become an essential tool in studying condensed matter phenomena. The advantage of atomic physics experiments is that they provide an easily tunable system. This experiment uses the lowest two ground state hyperfine levels of fermionic lithium. Having two different states creates a pseudo-spin- 1/2 system and allows us to emulate electronic systems, such as superconductors and crystal lattices. In our experiment, we can control the ratio between these two states resulting in either a spin-balanced or a spin-imbalanced gas. Imposing an imbalance is analogous to applying a magnetic field to a superconductor which causes the electrons in the material to align to the field (thus breaking the electron pairs which cause superconductivity). This motivates us to understand the phases created when a spin-imbalance is created and the effect of changing the atomic interactions. In a 3D system, we find where superfluidity is suppressed throughout the BEC to BCS crossover. Using phase separation as a guide, we probe the dimensional crossover between 1D and 3D. The phase separation in 1D is inverted from that in 3D, which provides a unique characteristic to distinguish between the dimensions. By varying the tunneling between tubes and the atomic interactions in a 2D optical lattice, we control whether the system is 1D, 3D, or in between. Using the properties of a 3D gas as a guide, we directly observe when the gas has crossed over from being dominated by 1D-like behavior to 3D. In this way, we have found a universal value for the dimensional crossover. The 1D-3D crossover paves the way to search for the exotic FFLO (Fulde-Ferrell-Larkin-Ovchinnikov) superconductor. While most superconductors do not coexist with magnetism, the FFLO phase requires large magnetic fields to support its pairing mechanism. Additionally, this phase is more likely to be found in lower dimensional systems. However, at low dimensions, the effect of temperature fluctuations on the phase is destabilizing, but these temperature effects are reduced with higher dimensionality. Thus, the quasi-1D regime is the optimal region of parameter space to find this phase. The search for direct evidence of FFLO continues in this regime.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doma, S. B., E-mail: sbdoma@alexu.edu.eg; Shaker, M. O.; Farag, A. M.

The variational Monte Carlo method is applied to investigate the ground state and some excited states of the lithium atom and its ions up to Z = 10 in the presence of an external magnetic field regime with γ = 0–100 arb. units. The effect of increasing field strength on the ground state energy is studied and precise values for the crossover field strengths were obtained. Our calculations are based on using accurate forms of trial wave functions, which were put forward in calculating energies in the absence of magnetic field. Furthermore, the value of Y at which ground-state energymore » of the lithium atom approaches to zero was calculated. The obtained results are in good agreement with the most recent values and also with the exact values.« less

Laser continuum source atomic absorption spectroscopy: Measuring the ground state with nanosecond resolution in laser-induced plasmas

NASA Astrophysics Data System (ADS)

Merten, Jonathan; Johnson, Bruce

2018-01-01

A new dual-beam atomic absorption technique is applied to laser-induced plasmas. The technique uses an optical parametric oscillator pseudocontinuum, producing emission that is both wider than the absorption line profile, but narrow enough to allow the use of an echelle spectrograph without order sorting. The dual-beam-in space implementation makes the technique immune to nonspecific attenuation of the probe beam and the structure of the pseudocontinuum. The potential for plasma diagnostics is demonstrated with spatially and temporally resolved measurements of magnesium metastable and lithium ground state optical depths in a laser-induced plasma under reduced pressure conditions. The lithium measurements further demonstrate the technique's potential for isotope ratio measurements.

Li15Al3Si6 (Li14.6Al3.4Si6), a compound displaying a heterographite-like anionic framework.

PubMed

Spina, Laurent; Tillard, Monique; Belin, Claude

2003-02-01

The title compound, lithium aluminium silicide (15/3/6), crystallizes in the hexagonal centrosymmetric space group P6(3)/m. The three-dimensional structure of this ternary compound may be depicted as two interpenetrating lattices, namely a graphite-like Li(3)Al(3)Si(6) layer and a distorted diamond-like lithium lattice. As is commonly found for LiAl alloys, the Li and Al atoms are found to share some crystallographic sites. The diamond-like lattice is built up of Li cations, and the graphite-like anionic layer is composed of Si, Al and Li atoms in which Si and Al are covalently bonded [Si-Al = 2.4672 (4) A].

Synthesis of LiNiO2 cathode materials with homogeneous Al doping at the atomic level

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zengcai; Zhen, Honghe; Kim, Yoongu

2011-01-01

Aluminum doped LiNiO2 cathode materials are synthesized by using Raney nickel as the starting material. The structure and composition are characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) coupled with elemental mapping. The lithium deficiency is analyzed by Rieveld refinement. The initial capacity and retention of capacity are correlated to the lithium deficiency of the resulting cathode material. Using strong oxidant of Li2O2 in the synthesis results in materials with improved electrochemical cyclability. The improvement is related to the diminishing of lithium deficiency in strong oxidizing synthesis conditions.

Nonlocal gradient corrections to the exchange free energy of an inhomogeneous many-fermion system at finite temperature

NASA Astrophysics Data System (ADS)

Geldart, D. J. W.; Dunlap, E.; Glasser, M. L.; Shegelski, Mark R. A.

1993-10-01

A general exact result is derived for the coefficient B x( n; T) which determines the first gradient correction to the leading exchange contribution to the free energy at finite temperature of a weakly inhomogeneous extended many fermion system having arbitrary two-body interactions. Explicit analytical results are given in the case of bare Coulomb interactions, and the case of statically screened Coulomb interactions is studied numerically. It is shown that nonanalytical structure leads to different limiting values of B x( n; T) when the inverse screening length and the temperature are both small. Some implications for physical many-electron systems are discussed, including the reasons for discrepancies between the first principles and semiempirical gradient coefficients for atomic exchange energies.

Conceptual design considerations and neutronics of lithium fall laser fusion target chambers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meier, W.R.; Thomson, W.B.

1978-05-31

Atomics International and Lawrence Livermore Laboratory are involved in the conceptual design of a laser fusion power plant incorporating the lithium fall target chamber. In this paper we discuss some of the more important design considerations for the target chamber and evaluate its nuclear performance. Sizing and configuration of the fall, hydraulic effects, and mechanical design considerations are addressed. The nuclear aspects examined include tritium breeding, energy deposition, and radiation damage.

Inelastic collisions of positrons with one-valence-electron targets

NASA Technical Reports Server (NTRS)

Abdel-Raouf, Mohamed Assad

1990-01-01

The total elastic and positronium formation cross sections of the inelastic collisions between positrons and various one-valence-electron atoms, (namely hydrogen, lithium, sodium, potassium and rubidium), and one-valence-electron ions, (namely hydrogen-like, lithium-like and alkaline-earth positive ions) are determined using an elaborate modified coupled-static approximation. Special attention is devoted to the behavior of the Ps cross sections at the energy regions lying above the Ps formation thresholds.

Hyperfine structure of 2Σ molecules containing alkaline-earth-metal atoms

NASA Astrophysics Data System (ADS)

Aldegunde, Jesus; Hutson, Jeremy M.

2018-04-01

Ultracold molecules with both electron spin and an electric dipole moment offer new possibilities in quantum science. We use density-functional theory to calculate hyperfine coupling constants for a selection of molecules important in this area, including RbSr, LiYb, RbYb, CaF, and SrF. We find substantial hyperfine coupling constants for the fermionic isotopes of the alkaline-earth-metal and Yb atoms. We discuss the hyperfine level patterns and Zeeman splittings expected for these molecules. The results will be important both to experiments aimed at forming ultracold open-shell molecules and to their applications.

Spatially resolving density-dependent screening around a single charged atom in graphene

NASA Astrophysics Data System (ADS)

Wong, Dillon; Corsetti, Fabiano; Wang, Yang; Brar, Victor W.; Tsai, Hsin-Zon; Wu, Qiong; Kawakami, Roland K.; Zettl, Alex; Mostofi, Arash A.; Lischner, Johannes; Crommie, Michael F.

2017-05-01

Electrons in two-dimensional graphene sheets behave as interacting chiral Dirac fermions and have unique screening properties due to their symmetry and reduced dimensionality. By using a combination of scanning tunneling spectroscopy measurements and theoretical modeling we have characterized how graphene's massless charge carriers screen individual charged calcium atoms. A backgated graphene device configuration has allowed us to directly visualize how the screening length for this system can be tuned with carrier density. Our results provide insight into electron-impurity and electron-electron interactions in a relativistic setting with important consequences for other graphene-based electronic devices.

Resolved Sideband Spectroscopy for the Detection of Weak Optical Transitions

DTIC Science & Technology

2013-08-01

Lett. 81, 317 (1998). [12] T. Baba and I. Waki , “Cooling and Mass-Analysis of Molecules Using Laser-Cooled Atoms,” Jpn. J. Appl. Phys 35, L1134 (1996...fermions,” Phys. Rev. A: At. Mol. Opt. Phys. 65, 043601 (2002). [26] T. Baba and I. Waki , “Spectral shape of in situ mass spectra of sympathetically cooled

Preparation of electrochemically active silicon nanotubes in highly ordered arrays

PubMed Central

Grünzel, Tobias; Lee, Young Joo; Kuepper, Karsten

2013-01-01

Summary Silicon as the negative electrode material of lithium ion batteries has a very large capacity, the exploitation of which is impeded by the volume changes taking place upon electrochemical cycling. A Si electrode displaying a controlled porosity could circumvent the difficulty. In this perspective, we present a preparative method that yields ordered arrays of electrochemically competent silicon nanotubes. The method is based on the atomic layer deposition of silicon dioxide onto the pore walls of an anodic alumina template, followed by a thermal reduction with lithium vapor. This thermal reduction is quantitative, homogeneous over macroscopic samples, and it yields amorphous silicon and lithium oxide, at the exclusion of any lithium silicides. The reaction is characterized by spectroscopic ellipsometry for thin silica films, and by nuclear magnetic resonance and X-ray photoelectron spectroscopy for nanoporous samples. After removal of the lithium oxide byproduct, the silicon nanotubes can be contacted electrically. In a lithium ion electrolyte, they then display the electrochemical waves also observed for other bulk or nanostructured silicon systems. The method established here paves the way for systematic investigations of how the electrochemical properties (capacity, charge/discharge rates, cyclability) of nanoporous silicon negative lithium ion battery electrode materials depend on the geometry. PMID:24205460

Positron confinement in embedded lithium nanoclusters

NASA Astrophysics Data System (ADS)

van Huis, M. A.; van Veen, A.; Schut, H.; Falub, C. V.; Eijt, S. W.; Mijnarends, P. E.; Kuriplach, J.

2002-02-01

Quantum confinement of positrons in nanoclusters offers the opportunity to obtain detailed information on the electronic structure of nanoclusters by application of positron annihilation spectroscopy techniques. In this work, positron confinement is investigated in lithium nanoclusters embedded in monocrystalline MgO. These nanoclusters were created by means of ion implantation and subsequent annealing. It was found from the results of Doppler broadening positron beam analysis that approximately 92% of the implanted positrons annihilate in lithium nanoclusters rather than in the embedding MgO, while the local fraction of lithium at the implantation depth is only 1.3 at. %. The results of two-dimensional angular correlation of annihilation radiation confirm the presence of crystalline bulk lithium. The confinement of positrons is ascribed to the difference in positron affinity between lithium and MgO. The nanocluster acts as a potential well for positrons, where the depth of the potential well is equal to the difference in the positron affinities of lithium and MgO. These affinities were calculated using the linear muffin-tin orbital atomic sphere approximation method. This yields a positronic potential step at the MgO||Li interface of 1.8 eV using the generalized gradient approximation and 2.8 eV using the insulator model.

High-Resolution Tracking Asymmetric Lithium Insertion and Extraction and Local Structure Ordering in SnS2.

PubMed

Gao, Peng; Wang, Liping; Zhang, Yu-Yang; Huang, Yuan; Liao, Lei; Sutter, Peter; Liu, Kaihui; Yu, Dapeng; Wang, En-Ge

2016-09-14

In the rechargeable lithium ion batteries, the rate capability and energy efficiency are largely governed by the lithium ion transport dynamics and phase transition pathways in electrodes. Real-time and atomic-scale tracking of fully reversible lithium insertion and extraction processes in electrodes, which would ultimately lead to mechanistic understanding of how the electrodes function and why they fail, is highly desirable but very challenging. Here, we track lithium insertion and extraction in the van der Waals interactions dominated SnS2 by in situ high-resolution TEM method. We find that the lithium insertion occurs via a fast two-phase reaction to form expanded and defective LiSnS2, while the lithium extraction initially involves heterogeneous nucleation of intermediate superstructure Li0.5SnS2 domains with a 1-4 nm size. Density functional theory calculations indicate that the Li0.5SnS2 is kinetically favored and structurally stable. The asymmetric reaction pathways may supply enlightening insights into the mechanistic understanding of the underlying electrochemistry in the layered electrode materials and also suggest possible alternatives to the accepted explanation of the origins of voltage hysteresis in the intercalation electrode materials.

Interatomic interaction effects on second-order momentum correlations and Hong-Ou-Mandel interference of double-well-trapped ultracold fermionic atoms

NASA Astrophysics Data System (ADS)

Brandt, Benedikt B.; Yannouleas, Constantine; Landman, Uzi

2018-05-01

Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum-information resources. With the use of the second-order density matrix constructed via exact diagonalization of the microscopic Hamiltonian, and an analytic Hubbard-type model, we explore here the systematic evolution of characteristic interference patterns in the two-body momentum and spatial correlation maps of two entangled ultracold fermionic atoms in a double well, for the entire attractive- and repulsive-interaction range. We uncover quantum-statistics-governed bunching and antibunching, as well as interaction-dependent interference patterns, in the ground and excited states, and interpret our results in light of the Hong-Ou-Mandel interference physics, widely exploited in photon indistinguishability testing and quantum-information science.

Long range magnetic ordering of ultracold fermions in an optical lattice

NASA Astrophysics Data System (ADS)

Duarte, P. M.; Hart, R. A.; Yang, T.-L.; Hulet, R. G.

2013-05-01

We present progress towards the observation of long range antiferromagnetic (AFM) ordering of fermionic 6Li atoms in an optical lattice. We prepare a two spin state mixture of 106 atoms at T /TF = 0 . 1 by evaporatively cooling in an optical dipole trap. The sample is then transferred to a dimple trap formed by three retroreflected laser beams at 1064 nm that propagate in orthogonal directions. The polarization of the retroreflected light is controlled using liquid crystal retarders, which allow us to adiabatically transform the dimple trap into a 3D lattice. Overlapped with each of the three dimple/lattice beams is a beam at 532 nm, which can cancel the harmonic confinement and flatten the band structure in the lattice. This setup offers the possibility of implementing proposed schemes which enlarge the size of the AFM phase in the trap. As a probe for AFM we use Bragg scattering of light. We have observed Bragg scattering off of the (100) lattice planes, and using an off-angle probe we can see the diffuse scattering from the sample which serves as background for the small signals expected before the onset of AFM ordering. Supported by NSF, ONR, DARPA, and the Welch Foundation.

Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction

NASA Astrophysics Data System (ADS)

Dönni, A.; Ehlers, G.; Maletta, H.; Fischer, P.; Kitazawa, H.; Zolliker, M.

1996-12-01

The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group 0953-8984/8/50/043/img8) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below 0953-8984/8/50/043/img9 with an incommensurate antiferromagnetic propagation vector 0953-8984/8/50/043/img10, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry.

Lifetime of Feshbach dimers in a Fermi-Fermi mixture of 6Li and 40K

NASA Astrophysics Data System (ADS)

Jag, M.; Cetina, M.; Lous, R. S.; Grimm, R.; Levinsen, J.; Petrov, D. S.

2016-12-01

We present a joint experimental and theoretical investigation of the lifetime of weakly bound dimers formed near narrow interspecies Feshbach resonances in mass-imbalanced Fermi-Fermi systems, considering the specific example of a mixture of 6Li and 40K atoms. Our work addresses the central question of the increase in the stability of the dimers resulting from Pauli suppression of collisional losses, which is a well-known effect in mass-balanced fermionic systems near broad resonances. We present measurements of the spontaneous dissociation of dimers in dilute samples, and of the collisional losses in dense samples arising from both dimer-dimer processes and from atom-dimer processes. We find that all loss processes are suppressed close to the Feshbach resonance. Our general theoretical approach for fermionic mixtures near narrow Feshbach resonances provides predictions for the suppression of collisional decay as a function of the detuning from resonance, and we find excellent agreement with the experimental benchmarks provided by our 40K-6Li system. We finally present model calculations for other Feshbach-resonant Fermi-Fermi systems, which are of interest for experiments in the near future.

Quantum measurement-induced dynamics of many-body ultracold bosonic and fermionic systems in optical lattices

NASA Astrophysics Data System (ADS)

Mazzucchi, Gabriel; Kozlowski, Wojciech; Caballero-Benitez, Santiago F.; Elliott, Thomas J.; Mekhov, Igor B.

2016-02-01

Trapping ultracold atoms in optical lattices enabled numerous breakthroughs uniting several disciplines. Coupling these systems to quantized light leads to a plethora of new phenomena and has opened up a new field of study. Here we introduce an unusual additional source of competition in a many-body strongly correlated system: We prove that quantum backaction of global measurement is able to efficiently compete with intrinsic short-range dynamics of an atomic system. The competition becomes possible due to the ability to change the spatial profile of a global measurement at a microscopic scale comparable to the lattice period without the need of single site addressing. In coherence with a general physical concept, where new competitions typically lead to new phenomena, we demonstrate nontrivial dynamical effects such as large-scale multimode oscillations, long-range entanglement, and correlated tunneling, as well as selective suppression and enhancement of dynamical processes beyond the projective limit of the quantum Zeno effect. We demonstrate both the breakup and protection of strongly interacting fermion pairs by measurement. Such a quantum optical approach introduces into many-body physics novel processes, objects, and methods of quantum engineering, including the design of many-body entangled environments for open systems.

A novel class of halogen-free, super-conductive lithium argyrodites: Synthesis and characterization

NASA Astrophysics Data System (ADS)

Schneider, Holger; Du, Hui; Kelley, Tracy; Leitner, Klaus; ter Maat, Johan; Scordilis-Kelley, Chariclea; Sanchez-Carrera, Roel; Kovalev, Igor; Mudalige, Anoma; Kulisch, Jörn; Safont-Sempere, Marina M.; Hartmann, Pascal; Weiβ, Thomas; Schneider, Ling; Hinrichsen, Bernd

2017-10-01

Solid electrolytes are the core components for many next generation lithium battery concepts such as all-solid-state batteries (ASSB) or batteries based on metallic lithium anodes protected by a ceramic or composite passivation layer. Therefore, the search for new solid state Li-ion conductors with superior properties and improved electrochemical stabilities remains of high interest. In this work, the synthesis of a new class of silicon-containing, sulfide-based lithium-ion conductors is reported. Very good conductivities of up to ∼2.0-3.0·10-3 S/cm could be achieved for compositions such as Li22SiP2S18, among the highest for silicon sulfide containing materials. Based on the recorded powder XRD diffraction patterns and simulations it could be confirmed that they constitute novel members of the argyrodite family of sulfide lithium-ion conductors. The cubic high-temperature modification of such argyrodites with high lithium-ion conductivity can therefore be stabilized by implementation of silicon into the lattice, while additional doping with halogen atoms is not necessary.

Cooling Atomic Gases With Disorder

DOE PAGES

Paiva, Thereza; Khatami, Ehsan; Yang, Shuxiang; ...

2015-12-10

Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing, and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. Here in this paper, we propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a nondisordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approachmore » the Néel temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.« less

LiBSi2: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels.

PubMed

Zeilinger, Michael; van Wüllen, Leo; Benson, Daryn; Kranak, Verina F; Konar, Sumit; Fässler, Thomas F; Häussermann, Ulrich

2013-06-03

Silicon swallows up boron: The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi2 was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels (see picture). LiBSi2 is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts.

Surface Chemistry and Precursor Material Effects on the Performance of Pyrolyzed Nanofibers as Anodes for Lithium-ion Batteries

NASA Astrophysics Data System (ADS)

Loebl, Andrew James

Next-generation lithium-ion batteries to meet consumer demands and new applications require the development of new electrode materials. Electrospinning of polymers is a simple and effective method to create one-dimensional, self-supporting materials, with no inactive components after pyrolysis. Composites of these nanofibers and high-capacity lithium materials have been demonstrated to possess superior reversible capacity than state-of-the-art commercial anodes. Despite impressive reversible discharge capacities polyacrylonitrile-based composites are not ready for adoption in commercial applications. These materials suffer from irreversible losses of Li to formation on the electrode of the solid electrolyte interphase during the first charge of the cell. This thesis work has taken two approaches to engineer high-performing nanofiber-based electrodes. First, the chemistry at the interface of the electrode and the electrolyte has been changed by depositing new surfaces. Attempts to create a graphitic fiber surface via plasma enhanced chemical vapor deposition did not result in an improvement of the irreversible losses. However, the experiments did demonstrate the growth of large surface area carbon nanowalls on the pyrolyzed electrospun fibers, creating a material which could serve as a substrate in catalysis or as an electrode for composite ultra-capacitors. Additionally, passivation surfaces were deposited by atomic layer deposition and molecular layer deposition. These new surfaces were employed to reduce the irreversible consumption of lithium by moving the charge transfer reaction to the interface of the carbon and the new material. The removal the lithium from the solvent prior to charge transfer limits the irreversible reduction of solvent by metallic lithium. Alumina films grown by atomic layer deposition reduced lithium losses to the solid electrolyte interphase by up to 42% for twenty deposition cycles. This large improvement in irreversible capacity resulted in a nearly 50% reduction in reversible lithium storage. Thinner coatings of alumina had a less dramatic effect on both the irreversible capacity losses and the reversible discharge capacity. A coating of ten cycles of alumina at a temperature of 150 °C resulted in a 17% reduction in irreversible capacity with negligible impact on the reversible capacity. Hybrid aluminum-organic films grown by molecular layer deposition also reduced irreversible lithium losses. The largest reduction was 23% for electrodes coated with 40 cycles of the alucone material. For all thicknesses studied these hybrid films delivered less improvement than the alumina grown by atomic layer deposition, with poor reversible lithium storage capacity available at high charging and discharging currents. Second, polyacrylonitrile has served as the precursor for electrospun composite electrodes because of its ease of processing and well-known carbonization process. Polyimides represent a family of polymers for which the material properties can be tailored by careful monomer selection. These polymers were used as the non-woven matrix to create materials capable of delivering a larger percentage of their maximum reversible capacities at high currents when compared to polyacrylonitrile-based electrodes. These materials had a more graphitic structure based on Raman spectroscopy, and resulted in lower irreversible capacity losses than polyacrylonitrile-based fibers for fibers based on pyromellitic dianhydride and p-phenylene diamine.

V L Ginzburg and the Atomic Project

NASA Astrophysics Data System (ADS)

Ritus, V. I.

2017-04-01

This paper is an expanded version of the author's talk presented at a session of the Physical Sciences Division of the Russian Academy of Sciences celebrating the 100th anniversary of V L Ginzburg's birth. Tamm's Special group was organized in June 1948 with the task to clarify the feasibility of constructing a hydrogen bomb. Having verified and confirmed the calculated results by Ya B Zel'dovich's group, the Tamm group proposed an original hydrogen bomb design, which, following A D Sakharov's idea, consisted of an atomic bomb surrounded spherically by nested uranium and heavy water layers: the heavy water, on V L Ginzburg's suggestion, was replaced by higher-calorie solid lithium-6 deuteride. The ionization implosion of deuterium by uranium, both heated by the atomic bomb's explosion, greatly accelerates nuclear reactions in deuterium and uranium and increases the total energy release. Upon their approval by the KB-11 top researchers, the Atomic project leadership, and the government, the proposals were implemented in the RDS-6s bomb, which was successfully tested on 12 August 1953. Lithium-6 deuteride turned out to be a convenient multipurpose nuclear fuel. The paper highlights the recognition by the leaders of the country and of the Atomic project that fundamental science plays a crucial role in promoting scientists' ideas and proposals.

Determination of indium in geological materials by electrothermal-atomization atomic absorption spectrometry with a tungsten-impregnated graphite furance

USGS Publications Warehouse

Zhou, L.; Chao, T.T.; Meier, A.L.

1984-01-01

The sample is fused with lithium metaborate and the melt is dissolved in 15% (v/v) hydrobromic acid. Iron(III) is reduced with ascorbic acid to avoid its coextraction with indium as the bromide into methyl isobutyl ketone. Impregnation of the graphite furnace with sodium tungstate, and the presence of lithium metaborate and ascorbic acid in the reaction medium improve the sensitivity and precision. The limits of determination are 0.025-16 mg kg-1 indium in the sample. For 22 geological reference samples containing more than 0.1 mg kg-1 indium, relative standard deviations ranged from 3.0 to 8.5% (average 5.7%). Recoveries of indium added to various samples ranged from 96.7 to 105.6% (average 100.2%). ?? 1984.

Redox shuttles for overcharge protection of lithium batteries

DOEpatents

Amine, Khalil; Chen, Zonghai; Wang, Qingzheng

2010-12-14

The present invention is generally related to electrolytes containing novel redox shuttles for overcharge protection of lithium-ion batteries. The redox shuttles are capable of thousands hours of overcharge tolerance and have a redox potential at about 3-5.5 V vs. Li and particularly about 4.4-4.8 V vs. Li. Accordingly, in one aspect the invention provides electrolytes comprising an alkali metal salt; a polar aprotic solvent; and a redox shuttle additive that is an aromatic compound having at least one aromatic ring with four or more electronegative substituents, two or more oxygen atoms bonded to the aromatic ring, and no hydrogen atoms bonded to the aromatic ring; and wherein the electrolyte solution is substantially non-aqueous. Further there are provided electrochemical devices employing the electrolyte and methods of making the electrolyte.

Spin-orbital quantum liquid on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Corboz, Philippe

2013-03-01

The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

High Rate Performing Li-ion Battery

DTIC Science & Technology

2015-02-09

this storage capacity is known so far the highest among all phosphate-based cathode materials. Unlike olivine LiFePO4 with inherent low lithium ion...1 ). 24 However, similar to LiFePO4 , the main drawback of LVP is its intrinsic poor electronic conductivity (10 −8 Scm −1 ) 25 which can hinder...Fisher, C. A. J. & Slater, P. R. Atomic-scale Investigation of Defects, Dopants, and Lithium Transport in the LiFePO4 Olivine-type Battery

Decay, excitation, and ionization of lithium Rydberg states by blackbody radiation

NASA Astrophysics Data System (ADS)

Ovsiannikov, V. D.; Glukhov, I. L.

2010-09-01

Details of interaction between the blackbody radiation and neutral lithium atoms were studied in the temperature ranges T = 100-2000 K. The rates of thermally induced decays, excitations and ionization were calculated for S-, P- and D-series of Rydberg states in the Fues' model potential approach. The quantitative regularities for the states of the maximal rates of blackbody-radiation-induced processes were determined. Approximation formulas were proposed for analytical representation of the depopulation rates.

Understanding Lithium Solvation and Diffusion through Topological Analysis of First-Principles Molecular Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatia, Harsh; Gyulassy, Attila; Ong, Mitchell

2016-09-27

The performance of lithium-ion batteries is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact, both, the solvation and diffusivity of Li ions. In this work, we present our application of the topological techniques to extract and predict such behavior in the data generated by the first-principles molecular dynamics simulation of Li ions in an important organic solvent -ethylene carbonate. More specifically, we use the scalar topology of the electron charge density field tomore » analyze the evolution of the solvation structures. This allows us to derive a parameter-free bond definition for lithium-oxygen bonds, to provide a quantitative measure for bond strength, and to understand the regions of influence of each atom in the simulation. This has provided new insights into how and under what conditions certain bonds may form and break. As a result, we can identify and, more importantly, predict, unstable configurations in solvation structures. This can be very useful in understanding when small changes to the atoms' movements can cause significantly different bond structures to evolve. Ultimately, this promises to allow scientists to explore lithium ion solvation and diffusion more systematically, with the aim of new insights and potentially accelerating the calculations themselves.« less

Impurity coupled to an artificial magnetic field in a Fermi gas in a ring trap

NASA Astrophysics Data System (ADS)

Ünal, F. Nur; Hetényi, B.; Oktel, M. Ã.-.

2015-05-01

The dynamics of a single impurity interacting with a many-particle background is one of the central problems of condensed-matter physics. Recent progress in ultracold-atom experiments makes it possible to control this dynamics by coupling an artificial gauge field specifically to the impurity. In this paper, we consider a narrow toroidal trap in which a Fermi gas is interacting with a single atom. We show that an external magnetic field coupled to the impurity is a versatile tool to probe the impurity dynamics. Using a Bethe ansatz, we calculate the eigenstates and corresponding energies exactly as a function of the flux through the trap. Adiabatic change of flux connects the ground state to excited states due to flux quantization. For repulsive interactions, the impurity disturbs the Fermi sea by dragging the fermions whose momentum matches the flux. This drag transfers momentum from the impurity to the background and increases the effective mass. The effective mass saturates to the total mass of the system for infinitely repulsive interactions. For attractive interactions, the drag again increases the effective mass which quickly saturates to twice the mass of a single particle as a dimer of the impurity and one fermion is formed. For excited states with momentum comparable to number of particles, effective mass shows a resonant behavior. We argue that standard tools in cold-atom experiments can be used to test these predictions.

Lithium diffusion in sputter-deposited Li4Ti5O12 thin films

NASA Astrophysics Data System (ADS)

Wunde, F.; Berkemeier, F.; Schmitz, G.

2012-10-01

Li4Ti5O12 (LTO) thin films are deposited by dc-ion beam sputtering at different oxygen partial pressures and different substrate temperatures. In order to investigate, how these two parameters influence the atomic structure, the specimens are characterized by X-ray diffraction and transmission electron microscopy. Electrochemical characterization of the films is done by cyclic voltammetry and chrono-potentiometry. To determine an averaged chemical diffusion coefficient of lithium, a method is developed, evaluating c-rate tests. The results obtained by this method are compared to results obtained by the well established galvanostatic intermittent titration technique (GITT), which is used to determine a concentration dependent diffusion coefficient of lithium in LTO.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations

DOE PAGES

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F.; ...

2016-03-04

Chemical imaging at the atomic-scale provides a useful real-space approach to chemically investigate solid crystal structures, and has been recently demonstrated in aberration corrected scanning transmission electron microscopy (STEM). Atomic-scale chemical imaging by STEM using energy-dispersive X-ray spectroscopy (EDS) offers easy data interpretation with a one-to-one correspondence between image and structure but has a severe shortcoming due to the poor efficiency of X-ray generation and collection. As a result, it requires a long acquisition time of typical > few 100 seconds, limiting its potential applications. Here we describe the development of an atomic-scale STEM EDS chemical imaging technique that cutsmore » the acquisition time to one or a few seconds, efficiently reducing the acquisition time by more than 100 times. This method was demonstrated using LaAlO 3 (LAO) as a model crystal. Applying this method to the study of phase transformation induced by electron-beam radiation in a layered lithium transition-metal (TM) oxide, i.e., Li[Li 0.2Ni 0.2Mn 0.6]O 2 (LNMO), a cathode materials for lithium-ion batteries, we obtained a time-series of the atomic-scale chemical imaging, showing the transformation progressing by preferably jumping of Ni atoms from the TM layers into the Li-layers. The new capability offers an opportunity for temporal, atomic-scale chemical mapping of crystal structures for the investigation of materials susceptible to electron irradiation as well as phase transformation and dynamics at the atomic-scale.« less

Pauli structures arising from confined particles interacting via a statistical potential

NASA Astrophysics Data System (ADS)

Batle, Josep; Ciftja, Orion; Farouk, Ahmed; Alkhambashi, Majid; Abdalla, Soliman

2017-09-01

There have been suggestions that the Pauli exclusion principle alone can lead a non-interacting (free) system of identical fermions to form crystalline structures dubbed Pauli crystals. Single-shot imaging experiments for the case of ultra-cold systems of free spin-polarized fermionic atoms in a two-dimensional harmonic trap appear to show geometric arrangements that cannot be characterized as Wigner crystals. This work explores this idea and considers a well-known approach that enables one to treat a quantum system of free fermions as a system of classical particles interacting with a statistical interaction potential. The model under consideration, though classical in nature, incorporates the quantum statistics by endowing the classical particles with an effective interaction potential. The reasonable expectation is that possible Pauli crystal features seen in experiments may manifest in this model that captures the correct quantum statistics as a first order correction. We use the Monte Carlo simulated annealing method to obtain the most stable configurations of finite two-dimensional systems of confined particles that interact with an appropriate statistical repulsion potential. We consider both an isotropic harmonic and a hard-wall confinement potential. Despite minor differences, the most stable configurations observed in our model correspond to the reported Pauli crystals in single-shot imaging experiments of free spin-polarized fermions in a harmonic trap. The crystalline configurations observed appear to be different from the expected classical Wigner crystal structures that would emerge should the confined classical particles had interacted with a pair-wise Coulomb repulsion.

Nodal Topological Phases in s-wave Superfluid of Ultracold Fermionic Gases

NASA Astrophysics Data System (ADS)

Huang, Bei-Bing; Yang, Xiao-Sen

2018-02-01

The gapless Weyl superfluid has been widely studied in the three-dimensional ultracold fermionic superfluid. In contrast to Weyl superfluid, there exists another kind of gapless superfluid with topologically protected nodal lines, which can be regarded as the superfluid counterpart of nodal line semimetal in the condensed matter physics, just as Weyl superfluid with Weyl semimetal. In this paper we study the ground states of the cold fermionic gases in cubic optical lattices with one-dimensional spin-orbit coupling and transverse Zeeman field and map out the topological phase diagram of the system. We demonstrate that in addition to a fully gapped topologically trivial phase, some different nodal line superfluid phases appear when the Zeeman field is adjusted. The presence of topologically stable nodal lines implies the dispersionless zero-energy flat band in a finite region of the surface Brillouin zone. Experimentally these nodal line superfluid states can be detected via the momentum-resolved radio-frequency spectroscopy. The nodal line topological superfluid provide fertile grounds for exploring exotic quantum matters in the context of ultracold atoms. Supported by National Natural Science Foundation of China under Grant Nos. 11547047 and 11504143

Excess lithium storage and charge compensation in nanoscale Li4+xTi5O12

NASA Astrophysics Data System (ADS)

Wang, Feng; Wu, Lijun; Ma, Chao; Su, Dong; Zhu, Yimei; Graetz, Jason

2013-10-01

Lithium titanate spinel (Li4Ti5O12; LTO) is a promising candidate for anodes in lithium-ion batteries due to its excellent cyclability and safety performance, and has been known as a ‘zero-strain’ material that allows reversible lithium insertion-deinsertion with little change in the lattice parameters. For a better understanding of lithium reaction mechanisms in this material, it has been of great interest to identify where lithium is inserted and how it migrates during charge and discharge, which is often difficult with x-ray and electron scattering techniques due to the low scattering power of lithium. In this study, we employed atomic-resolution annular bright-field imaging to directly image the lithium on interstitial sites in nanoscale LTO, and electron energy-loss spectroscopy to measure local lithium occupancy and electronic structure at different states of charge. During lithiation, charge compensation occurs primarily at O sites, rather than at Ti sites, and no significant change was found in the projected density of states (Ti 3d) until the voltage was lowered to ˜50 mV or below. The Li K-edge spectra were simulated via ab initio calculations, providing a direct correlation between the near-edge fine structure and the local lithium coordination. During the initial states of discharge, lithium ions on 8a sites migrate to 16c sites (above 740 mV). Further lithiation causes the partial re-occupation of 8a sites, initially in the near-surface region at ˜600 mV, and then in the bulk at lower voltages (˜50 mV). We attribute the enhanced capacity in nanostructured LTO to extra storage of lithium in the near-surface region, primarily at {111} facets.

Nanoscale Measurements of Magnetism & Spin Coherence in Semiconductors

DTIC Science & Technology

2015-12-17

superconductor created by magnetic defects. These energy-resolved studies are distinct from typical spin-selective measurements performed previously using...MacDonald, B. A. Bernevig, A. Yazdani. Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor , Science, (10 2014): 602... superconductor , Physical Review B, (07 2013): 0. doi: 10.1103/PhysRevB.88.020407 TOTAL: 4 Number of Papers published in peer-reviewed journals

Broad Feshbach resonance in the 6Li-40K mixture.

PubMed

Tiecke, T G; Goosen, M R; Ludewig, A; Gensemer, S D; Kraft, S; Kokkelmans, S J J M F; Walraven, J T M

2010-02-05

We study the widths of interspecies Feshbach resonances in a mixture of the fermionic quantum gases 6Li and 40K. We develop a model to calculate the width and position of all available Feshbach resonances for a system. Using the model, we select the optimal resonance to study the {6}Li/{40}K mixture. Experimentally, we obtain the asymmetric Fano line shape of the interspecies elastic cross section by measuring the distillation rate of 6Li atoms from a potassium-rich 6Li/{40}K mixture as a function of magnetic field. This provides us with the first experimental determination of the width of a resonance in this mixture, DeltaB=1.5(5) G. Our results offer good perspectives for the observation of universal crossover physics using this mass-imbalanced fermionic mixture.

Analytical pair correlations in ideal quantum gases: temperature-dependent bunching and antibunching.

PubMed

Bosse, J; Pathak, K N; Singh, G S

2011-10-01

The fluctuation-dissipation theorem together with the exact density response spectrum for ideal quantum gases has been utilized to yield a new expression for the static structure factor, which we use to derive exact analytical expressions for the temperature-dependent pair distribution function g(r) of the ideal gases. The plots of bosonic and fermionic g(r) display "Bose pile" and "Fermi hole" typically akin to bunching and antibunching as observed experimentally for ultracold atomic gases. The behavior of spin-scaled pair correlation for fermions is almost featureless, but bosons show a rich structure including long-range correlations near T(c). The coherent state at T=0 shows no correlation at all, just like single-mode lasers. The depicted decreasing trend in correlation with decrease in temperature for T

Strain manipulation of Majorana fermions in graphene armchair nanoribbons

NASA Astrophysics Data System (ADS)

Wang, Zhen-Hua; Castro, Eduardo V.; Lin, Hai-Qing

2018-01-01

Graphene nanoribbons with armchair edges are studied for externally enhanced but realistic parameter values: enhanced Rashba spin-orbit coupling due to proximity to a transition-metal dichalcogenide, such as WS2, and enhanced Zeeman field due to exchange coupling with a magnetic insulator, such as EuS under an applied magnetic field. The presence of s -wave superconductivity, induced either by proximity or by decoration with alkali-metal atoms, such as Ca or Li, leads to a topological superconducting phase with Majorana end modes. The topological phase is highly sensitive to the application of uniaxial strain with a transition to the trivial state above a critical strain well below 0.1%. This sensitivity allows for real-space manipulation of Majorana fermions by applying nonuniform strain profiles. Similar manipulation is also possible by applying an inhomogeneous Zeeman field or chemical potential.

Interaction-induced conducting-non-conducting transition of ultra-cold atoms in one-dimensional optical lattices

NASA Astrophysics Data System (ADS)

Chien, Chih-Chun; Gruss, Daniel; Di Ventra, Massimiliano; Zwolak, Michael

2013-06-01

The study of time-dependent, many-body transport phenomena is increasingly within reach of ultra-cold atom experiments. We show that the introduction of spatially inhomogeneous interactions, e.g., generated by optically controlled collisions, induce negative differential conductance in the transport of atoms in one-dimensional optical lattices. Specifically, we simulate the dynamics of interacting fermionic atoms via a micro-canonical transport formalism within both a mean-field and a higher-order approximation, as well as with a time-dependent density-matrix renormalization group (DMRG). For weakly repulsive interactions, a quasi-steady-state atomic current develops that is similar to the situation occurring for electronic systems subject to an external voltage bias. At the mean-field level, we find that this atomic current is robust against the details of how the interaction is switched on. Further, a conducting-non-conducting transition exists when the interaction imbalance exceeds some threshold from both our approximate and time-dependent DMRG simulations. This transition is preceded by the atomic equivalent of negative differential conductivity observed in transport across solid-state structures.

Structural and Luminescent property of Holmium doped Borate Glasses

NASA Astrophysics Data System (ADS)

Usharani, V. L.; Eraiah, B.

2018-02-01

Holmium doped Lithium Lead Borate glasses of different compositions were prepared by melt quenching technique. Fourier transform infrared investigations on lithium lead borate glasses have been made to study the local order and vibrations of atoms in the glass network and it contains mainly BO3 and BO4 structural units. Photoluminescence techniques were employed to investigate the luminescent property of these glasses excited at 451nm. Blue emission have been observed from the transition 495 (5F3 → 5I8).

Experimental realization of a subwavelength optical potential based on atomic dark state

NASA Astrophysics Data System (ADS)

Wang, Yang; Subhankar, Sarthak; Rolston, Steven; Porto, James

2017-04-01

As a well-established tool optical lattice (OL) provides the unique opportunity to exploit the rich manybody physics. However, ``traditional'' OL, either via laser beam interference or direct projection with spatial light modulator, has a length scale around the wavelength (0.1 10 λ) that is set by diffraction, a fundamental limit from the wave nature of the light. Recent theoretical proposals suggest an alternative route, where the geometric potential, stemming from light-atom interaction, can be engineered to generate a much finer potential landscape which is essentially limited by the wave nature of the slow moving cold atoms. We report on the progress towards an experimental realization of these ideas using degenerate fermionic ytterbium atoms. Such subwavelength optical potential could open the gate to study physics beyond currently available parameter regimes, such as enhanced super-exchange coupling, magnetic dipolar coupling, and tunnel junction in atomtronics.

III-nitride integration on ferroelectric materials of lithium niobate by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Namkoong, Gon; Lee, Kyoung-Keun; Madison, Shannon M.; Henderson, Walter; Ralph, Stephen E.; Doolittle, W. Alan

2005-10-01

Integration of III-nitride electrical devices on the ferroelectric material lithium niobate (LiNbO3) has been demonstrated. As a ferroelectric material, lithium niobate has a polarization which may provide excellent control of the polarity of III-nitrides. However, while high temperature, 1000°C, thermal treatments produce atomically smooth surfaces, improving adhesion of GaN epitaxial layers on lithium niobate, repolarization of the substrate in local domains occurs. These effects result in multi domains of mixed polarization in LiNbO3, producing inversion domains in subsequent GaN epilayers. However, it is found that AlN buffer layers suppress inversion domains of III-nitrides. Therefore, two-dimensional electron gases in AlGaN /GaN heterojunction structures are obtained. Herein, the demonstration of the monolithic integration of high power devices with ferroelectric materials presents possibilities to control LiNbO3 modulators on compact optoelectronic/electronic chips.

Is lithium biologically an important or toxic element to living organisms? An overview.

PubMed

Shahzad, Babar; Mughal, Mudassar Niaz; Tanveer, Mohsin; Gupta, Dorin; Abbas, Ghazanfar

2017-01-01

Industrialized world is exposing living organisms to different chemicals and metals such as lithium (Li). Due to their use in common household items to industrial applications, it is imperative to examine their bioavailability. Lithium belongs to the group IA and also has wider uses such as in batteries, air conditioners to atomic reactors. Lithium occurs naturally in soil and water, mostly at low concentrations, and enters the food chain. It is not one of the essential minerals though various studies indicate that low levels of Li have beneficial effects on living organisms, whereas high levels expose them to toxicity and related detrimental effects. This review suggests that Li could be biologically important to living organism depending upon its concentration/exposure. Little is known about its biological importance and molecular understanding of its accumulation and mode of action, which might have future implications for Li's long-term effects on living organisms.

A study of beryllium and beryllium-lithium complexes in single crystal silicon

NASA Technical Reports Server (NTRS)

Crouch, R. K.; Robertson, J. B.; Gilmer, T. E., Jr.

1972-01-01

When beryllium is thermally diffused into silicon, it gives rise to acceptor levels 191 MeV and 145 meV above the valence band. Quenching and annealing studies indicate that the 145-MeV level is due to a more complex beryllium configuration than the 191-MeV level. When lithium is thermally diffused into a beryllium-doped silicon sample, it produces two acceptor levels at 106 MeV and 81 MeV. Quenching and annealing studies indicate that these levels are due to lithium forming a complex with the defects responsible for the 191-MeV and 145-MeV beryllium levels, respectively. Electrical measurements imply that the lithium impurity ions are physically close to the beryllium impurity atoms. The ground state of the 106-MeV beryllium level is split into two levels, presumably by internal strains. Tentative models are proposed.

A large format in operando wound cell for analysing the structural dynamics of lithium insertion materials

NASA Astrophysics Data System (ADS)

Brant, William R.; Roberts, Matthew; Gustafsson, Torbjörn; Biendicho, Jordi Jacas; Hull, Stephen; Ehrenberg, Helmut; Edström, Kristina; Schmid, Siegbert

2016-12-01

This paper presents a large wound cell for in operando neutron diffraction (ND) from which high quality diffraction patterns are collected every 15 min while maintaining conventional electrochemical performance. Under in operando data collection conditions the oxygen atomic displacement parameters (ADPs) and cell parameters were extracted for Li0.18Sr0.66Ti0.5Nb0.5O3. Analysis of diffraction data collected under in situ conditions revealed that the lithium is located on the (0.5 0.5 0) site, corresponding to the 3c Wyckoff position in the cubic perovskite unit cell, after the cell is discharged to 1 V. When the cell is discharged under potentiostatic conditions the quantity of lithium on this site increases, indicating a potential position where lithium becomes pinned in the thermodynamically stable phase. During this potentiostatic step the oxygen ADPs reduce significantly. On discharge, however, the oxygen ADPs were observed to increase gradually as more lithium is inserted into the structure. Finally, the rate of unit cell expansion changed by ∼44% once the lithium content approached ∼0.17 Li per formula unit. A link between lithium content and degree of mobility, disorder of the oxygen positions and changing rate of unit cell expansion at various stages during lithium insertion and extraction is thus presented.

Lithium levels in tap water and psychotic experiences in a general population of adolescents.

PubMed

Shimodera, Shinji; Koike, Shinsuke; Ando, Shuntaro; Yamasaki, Syudo; Fujito, Ryosuke; Endo, Kaori; Iijima, Yudai; Yamamoto, Yu; Morita, Masaya; Sawada, Ken; Ohara, Nobuki; Okazaki, Yuji; Nishida, Atsushi

2018-06-09

Recently, several epidemiologic studies have reported that lithium in drinking water may be associated with lower rates of suicide mortality, lower incidence of dementia, and lower levels of adolescents' depression and aggression at the population level. However, to our knowledge, no study has investigated lithium level in tap water in relation to psychotic experiences in a general population of adolescents. This is the first study to investigate this using a large dataset. Information on psychotic experiences, distress associated with these experiences, and depressive symptoms were collected in 24 public junior high schools in Kochi Prefecture in Japan. Samples were collected from sources that supplied drinking water to schools, and lithium levels were measured using atomic absorption spectrophotometry. The association of lithium levels with psychotic experiences, considering distress as a degree of severity, was examined using an ordinal logistic regression model with schools and depressive symptoms as random effects. In total, 3040 students responded to the self-reporting questionnaire (response rate: 91.8%). Lithium levels in tap water were inversely associated with psychotic experiences (p = 0.021). We concluded that lithium level in tap water was inversely associated with psychotic experiences among a general population of adolescents and may have a preventive effect for such experiences and distress. Copyright © 2018 Elsevier B.V. All rights reserved.

How can we probe the atom mass currents induced by synthetic gauge fields?

NASA Astrophysics Data System (ADS)

Paramekanti, Arun; Killi, Matthew; Trotzky, Stefan

2013-05-01

Ultracold atomic fermions and bosons in an optical lattice can have quantum ground states which support equilibrium currents in the presence of synthetic magnetic fields or spin orbit coupling. As a tool to uncover these mass currents, we propose using an anisotropic quantum quench of the optical lattice which dynamically converts the current patterns into measurable density patterns. Using analytical calculations and numerical simulations, we show that this scheme can probe diverse equilibrium bulk current patterns in Bose superfluids and Fermi fluids induced by synthetic magnetic fields, as well as detect the chiral edge currents in topological states of atomic matter such as quantum Hall and quantum spin Hall insulators. This work is supported by NSERC of Canada and the Canadian Institute for Advanced Research.

Engineering topological superconductors using surface atomic-layer/molecule hybrid materials

NASA Astrophysics Data System (ADS)

Uchihashi, Takashi

2015-08-01

Surface atomic-layer (SAL) superconductors consisting of epitaxially grown metal adatoms on a clean semiconductor surface have been recently established. Compared to conventional metal thin films, they have two important features: (i) space-inversion symmetry-breaking throughout the system and (ii) high sensitivity to surface adsorption of foreign species. These potentially lead to manifestation of the Rashba effect and a Zeeman field exerted by adsorbed magnetic organic molecules. After introduction of the archetypical SAL superconductor Si(111)-(√7 × √3)-In, we describe how these features are utilized to engineer a topological superconductor with Majorana fermions and discuss its promises and expected challenges.

Multi-Wall Carbon Nanotubes as Lithium Nanopipettes and SPM Probes

NASA Astrophysics Data System (ADS)

Larson, Jonathan; Bharath, Satyaveda; Cullen, William; Reutt-Robey, Janice

2014-03-01

A multi-walled carbon nanotube (MWCNT) - terminated SPM cantilever, was utilized to perform nanolithography and surface diffusion measurements on a thin film of vapor-deposited lithium atop a silicon (111) substrate under ultra-high vacuum conditions. In these investigations the MWCNT tip was shown to act as both a lithium nanopipette and a probe for non-contact atomic force microscopy (NC-AFM) measurements. With the application of appropriate bias conditions, the MWCNT could site-selectively extract (expel) nano-scale amounts of lithium from (to) the sample surface. Depressions, mounds, and spikes were generated on the surface in this way and were azimuthally symmetric about the selected point of pipetting. Following lithium transfer to/from the substrate, the MWCNT pipette-induced features were sequentially imaged with NC-AFM using the MWCNT as the probe. Vacancy pits of ca. 300 nm diameter and 1.5 nm depth were observed to decay on a timescale of hours at room temperature, through diffusion-limited decay processes. A continuum model was utilized to simulate the island decay rates, and the lithium surface diffusion coefficient of D =7.5 (+/-1.3)*10-15 cm2/s was extracted. U.S. Department of Energy Award Number DESC0001160.

Atomic Layer Deposition of Stable LiAlF4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling.

PubMed

Xie, Jin; Sendek, Austin D; Cubuk, Ekin D; Zhang, Xiaokun; Lu, Zhiyi; Gong, Yongji; Wu, Tong; Shi, Feifei; Liu, Wei; Reed, Evan J; Cui, Yi

2017-07-25

Modern lithium ion batteries are often desired to operate at a wide electrochemical window to maximize energy densities. While pushing the limit of cutoff potentials allows batteries to provide greater energy densities with enhanced specific capacities and higher voltage outputs, it raises key challenges with thermodynamic and kinetic stability in the battery. This is especially true for layered lithium transition-metal oxides, where capacities can improve but stabilities are compromised as wider electrochemical windows are applied. To overcome the above-mentioned challenges, we used atomic layer deposition to develop a LiAlF 4 solid thin film with robust stability and satisfactory ion conductivity, which is superior to commonly used LiF and AlF 3 . With a predicted stable electrochemical window of approximately 2.0 ± 0.9 to 5.7 ± 0.7 V vs Li + /Li for LiAlF 4 , excellent stability was achieved for high Ni content LiNi 0.8 Mn 0.1 Co 0.1 O 2 electrodes with LiAlF 4 interfacial layer at a wide electrochemical window of 2.75-4.50 V vs Li + /Li.

Imaging electronic motions by ultrafast electron diffraction

NASA Astrophysics Data System (ADS)

Shao, Hua-Chieh; Starace, Anthony F.

2017-08-01

Recently ultrafast electron diffraction and microscopy have reached unprecedented temporal resolution, and transient structures with atomic precision have been observed in various reactions. It is anticipated that these extraordinary advances will soon allow direct observation of electronic motions during chemical reactions. We therefore performed a series of theoretical investigations and simulations to investigate the imaging of electronic motions in atoms and molecules by ultrafast electron diffraction. Three prototypical electronic motions were considered for hydrogen atoms. For the case of a breathing mode, the electron density expands and contracts periodically, and we show that the time-resolved scattering intensities reflect such changes of the charge radius. For the case of a wiggling mode, the electron oscillates from one side of the nucleus to the other, and we show that the diffraction images exhibit asymmetric angular distributions. The last case is a hybrid mode that involves both breathing and wiggling motions. Owing to the demonstrated ability of ultrafast electrons to image these motions, we have proposed to image a coherent population transfer in lithium atoms using currently available femtosecond electron pulses. A frequency-swept laser pulse adiabatically drives the valence electron of a lithium atom from the 2s to 2p orbitals, and a time-delayed electron pulse maps such motion. Our simulations show that the diffraction images reflect this motion both in the scattering intensities and the angular distributions.

Stark width regularities within spectral series of the lithium isoelectronic sequence

NASA Astrophysics Data System (ADS)

Tapalaga, Irinel; Trklja, Nora; Dojčinović, Ivan P.; Purić, Jagoš

2018-03-01

Stark width regularities within spectral series of the lithium isoelectronic sequence have been studied in an approach that includes both neutrals and ions. The influence of environmental conditions and certain atomic parameters on the Stark widths of spectral lines has been investigated. This study gives a simple model for the calculation of Stark broadening data for spectral lines within the lithium isoelectronic sequence. The proposed model requires fewer parameters than any other model. The obtained relations were used for predictions of Stark widths for transitions that have not yet been measured or calculated. In the framework of the present research, three algorithms for fast data processing have been made and they enable quality control and provide verification of the theoretically calculated results.

First-principles investigation of neutron-irradiation-induced point defects in B4C, a neutron absorber for sodium-cooled fast nuclear reactors

NASA Astrophysics Data System (ADS)

You, Yan; Yoshida, Katsumi; Yano, Toyohiko

2018-05-01

Boron carbide (B4C) is a leading candidate neutron absorber material for sodium-cooled fast nuclear reactors owing to its excellent neutron-capture capability. The formation and migration energies of the neutron-irradiation-induced defects, including vacancies, neutron-capture reaction products, and knocked-out atoms were studied by density functional theory calculations. The vacancy-type defects tend to migrate to the C–B–C chains of B4C, which indicates that the icosahedral cage structures of B4C have strong resistance to neutron irradiation. We found that lithium and helium atoms had significantly lower migration barriers along the rhombohedral (111) plane of B4C than perpendicular to this plane. This implies that the helium and lithium interstitials tended to follow a two-dimensional diffusion regime in B4C at low temperatures which explains the formation of flat disk like helium bubbles experimentally observed in B4C pellets after neutron irradiation. The knocked-out atoms are considered to be annihilated by the recombination of the close pairs of self-interstitials and vacancies.

Quantum Engineering of Strongly Correlated Matter with Ultracold Fermi Gases

DTIC Science & Technology

2013-05-01

aim at realizing model systems of strongly correlated, disordered electrons using ultracold fermionic atoms stored in an optical "crystal". The general...theme is to study high-temperature superfluids, Fermi liquids ("metals") and insulators in the presence of disordered impurities whose influence on...Presidential Early Career Award for Science and Education (PECASE). In this program, we aim at realizing model systems of strongly correlated, disordered

New Forms of Matter in Optical Lattices

DTIC Science & Technology

2016-05-19

Daley, A. M. Läuchli, and P. Zoller Thermal vs. Entanglement Entropy: A Measurement Protocol for Fermionic Atoms with a Quantum Gas Microscope...J. A. Edge, E. Taylor, S. Zhang, S. Trotzky, J. H. Thywissen Transverse Demagnetization Dynamics of a Unitary Fermi Gas Science 344, 722 (2014...Jiang, J Ignacio Cirac, Peter Zoller, Mikhail D Lukin, "Topologically Protected Quantum State Transfer in a Chiral Spin Liquid , "Nature Communications

Cavity QED with hybrid nanocircuits: from atomic-like physics to condensed matter phenomena

NASA Astrophysics Data System (ADS)

Cottet, Audrey; Dartiailh, Matthieu C.; Desjardins, Matthieu M.; Cubaynes, Tino; Contamin, Lauriane C.; Delbecq, Matthieu; Viennot, Jérémie J.; Bruhat, Laure E.; Douçot, Benoit; Kontos, Takis

2017-11-01

Circuit QED techniques have been instrumental in manipulating and probing with exquisite sensitivity the quantum state of superconducting quantum bits coupled to microwave cavities. Recently, it has become possible to fabricate new devices in which the superconducting quantum bits are replaced by hybrid mesoscopic circuits combining nanoconductors and metallic reservoirs. This mesoscopic QED provides a new experimental playground to study the light-matter interaction in electronic circuits. Here, we present the experimental state of the art of mesoscopic QED and its theoretical description. A first class of experiments focuses on the artificial atom limit, where some quasiparticles are trapped in nanocircuit bound states. In this limit, the circuit QED techniques can be used to manipulate and probe electronic degrees of freedom such as confined charges, spins, or Andreev pairs. A second class of experiments uses cavity photons to reveal the dynamics of electron tunneling between a nanoconductor and fermionic reservoirs. For instance, the Kondo effect, the charge relaxation caused by grounded metallic contacts, and the photo-emission caused by voltage-biased reservoirs have been studied. The tunnel coupling between nanoconductors and fermionic reservoirs also enable one to obtain split Cooper pairs, or Majorana bound states. Cavity photons represent a qualitatively new tool to study these exotic condensed matter states.

Cavity QED with hybrid nanocircuits: from atomic-like physics to condensed matter phenomena.

PubMed

Cottet, Audrey; Dartiailh, Matthieu C; Desjardins, Matthieu M; Cubaynes, Tino; Contamin, Lauriane C; Delbecq, Matthieu; Viennot, Jérémie J; Bruhat, Laure E; Douçot, Benoit; Kontos, Takis

2017-11-01

Circuit QED techniques have been instrumental in manipulating and probing with exquisite sensitivity the quantum state of superconducting quantum bits coupled to microwave cavities. Recently, it has become possible to fabricate new devices in which the superconducting quantum bits are replaced by hybrid mesoscopic circuits combining nanoconductors and metallic reservoirs. This mesoscopic QED provides a new experimental playground to study the light-matter interaction in electronic circuits. Here, we present the experimental state of the art of mesoscopic QED and its theoretical description. A first class of experiments focuses on the artificial atom limit, where some quasiparticles are trapped in nanocircuit bound states. In this limit, the circuit QED techniques can be used to manipulate and probe electronic degrees of freedom such as confined charges, spins, or Andreev pairs. A second class of experiments uses cavity photons to reveal the dynamics of electron tunneling between a nanoconductor and fermionic reservoirs. For instance, the Kondo effect, the charge relaxation caused by grounded metallic contacts, and the photo-emission caused by voltage-biased reservoirs have been studied. The tunnel coupling between nanoconductors and fermionic reservoirs also enable one to obtain split Cooper pairs, or Majorana bound states. Cavity photons represent a qualitatively new tool to study these exotic condensed matter states.

Mechanism of dissolution of a lithium salt in an electrolytic solvent in a lithium ion secondary battery: a direct ab initio molecular dynamics (AIMD) study.

PubMed

Tachikawa, Hiroto

2014-06-06

The mechanism of dissolution of the Li(+) ion in an electrolytic solvent is investigated by the direct ab initio molecular dynamics (AIMD) method. Lithium fluoroborate (Li(+)BF4(-)) and ethylene carbonate (EC) are examined as the origin of the Li(+) ion and the solvent molecule, respectively. This salt is widely utilized as the electrolyte in the lithium ion secondary battery. The binding of EC to the Li(+) moiety of the Li(+)BF4(-) salt is exothermic, and the binding energies at the CAM-B3LYP/6-311++G(d,p) level for n=1, 2, 3, and 4, where n is the number of EC molecules binding to the Li(+) ion, (EC)n(Li(+)BF4(-)), are calculated to be 91.5, 89.8, 87.2, and 84.0 kcal mol(-1) (per EC molecule), respectively. The intermolecular distances between Li(+) and the F atom of BF4(-) are elongated: 1.773 Å (n=0), 1.820 Å (n=1), 1.974 Å (n=2), 1.942 Å (n=3), and 4.156 Å (n=4). The atomic bond populations between Li(+) and the F atom for n=0, 1, 2, 3, and 4 are 0.202, 0.186, 0.150, 0.038, and 0.0, respectively. These results indicate that the interaction of Li(+) with BF4(-) becomes weaker as the number of EC molecules is increased. The direct AIMD calculation for n=4 shows that EC reacts spontaneously with (EC)3(Li(+)BF4(-)) and the Li(+) ion is stripped from the salt. The following substitution reaction takes place: EC+(EC)3(Li(+)BF4(-))→(EC)4Li(+)-(BF4(-)). The reaction mechanism is discussed on the basis of the theoretical results. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantum Simulation

NASA Astrophysics Data System (ADS)

Orzel, Chad

2017-06-01

One of the most active areas in atomic, molecular and optical physics is the use of ultracold atomic gases in optical lattices to simulate the behaviour of electrons in condensed matter systems. The larger mass, longer length scale, and tuneable interactions in these systems allow the dynamics of atoms moving in these systems to be followed in real time, and resonant light scattering by the atoms allows this motion to be probed on a microscopic scale using site-resolved imaging. This book reviews the physics of Hubbard-type models for both bosons and fermions in an optical lattice, which give rise to a rich variety of insulating and conducting phases depending on the lattice properties and interparticle interactions. It also discusses the effect of disorder on the transport of atoms in these models, and the recently discovered phenomenon of many-body localization. It presents several examples of experiments using both density and momentum imaging and quantum gas microscopy to study the motion of atoms in optical lattices. These illustrate the power and flexibility of ultracold-lattice analogues for exploring exotic states of matter at an unprecedented level of precision.

Creation of half-metallic f -orbital Dirac fermion with superlight elements in orbital-designed molecular lattice

NASA Astrophysics Data System (ADS)

Cui, Bin; Huang, Bing; Li, Chong; Zhang, Xiaoming; Jin, Kyung-Hwan; Zhang, Lizhi; Jiang, Wei; Liu, Desheng; Liu, Feng

2017-08-01

Magnetism in solids generally originates from the localized d or f orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a mechanism for designing a half-metallic f -orbital Dirac fermion from superlight s p elements. Combining first-principles and model calculations, we show that bare and flat-band-sandwiched (FBS) Dirac bands can be created when C20 molecules are deposited into a two-dimensional hexagonal lattice, which are composed of f -molecular orbitals (MOs) derived from s p -atomic orbitals (AOs). Furthermore, charge doping of the FBS Dirac bands induces spontaneous spin polarization, converting the system into a half-metallic Dirac state. Based on this discovery, a model of a spin field effect transistor is proposed to generate and transport 100% spin-polarized carriers. Our finding illustrates a concept to realize exotic quantum states by manipulating MOs, instead of AOs, in orbital-designed molecular crystal lattices.

Landau quantization of Dirac fermions in graphene and its multilayers

NASA Astrophysics Data System (ADS)

Yin, Long-Jing; Bai, Ke-Ke; Wang, Wen-Xiao; Li, Si-Yu; Zhang, Yu; He, Lin

2017-08-01

When electrons are confined in a two-dimensional (2D) system, typical quantum-mechanical phenomena such as Landau quantization can be detected. Graphene systems, including the single atomic layer and few-layer stacked crystals, are ideal 2D materials for studying a variety of quantum-mechanical problems. In this article, we review the experimental progress in the unusual Landau quantized behaviors of Dirac fermions in monolayer and multilayer graphene by using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Through STS measurement of the strong magnetic fields, distinct Landau-level spectra and rich level-splitting phenomena are observed in different graphene layers. These unique properties provide an effective method for identifying the number of layers, as well as the stacking orders, and investigating the fundamentally physical phenomena of graphene. Moreover, in the presence of a strain and charged defects, the Landau quantization of graphene can be significantly modified, leading to unusual spectroscopic and electronic properties.

Unconventional pairing symmetry of interacting Dirac fermions on a π -flux lattice

NASA Astrophysics Data System (ADS)

Guo, Huaiming; Khatami, Ehsan; Wang, Yao; Devereaux, Thomas P.; Singh, Rajiv R. P.; Scalettar, Richard T.

2018-04-01

The pairing symmetry of interacting Dirac fermions on the π -flux lattice is studied with the determinant quantum Monte Carlo and numerical linked-cluster expansion methods. The s*- (i.e., extended s -) and d -wave pairing symmetries, which are distinct in the conventional square lattice, are degenerate under the Landau gauge. We demonstrate that the dominant pairing channel at strong interactions is an unconventional d s* -wave phase consisting of alternating stripes of s*- and d -wave phases. A complementary mean-field analysis shows that while the s*- and d -wave symmetries individually have nodes in the energy spectrum, the d s* channel is fully gapped. The results represent a new realization of pairing in Dirac systems, connected to the problem of chiral d -wave pairing on the honeycomb lattice, which might be more readily accessed by cold-atom experiments.

Unconventional pairing symmetry of interacting Dirac fermions on a π -flux lattice

DOE PAGES

Guo, Huaiming; Khatami, Ehsan; Wang, Yao; ...

2018-04-20

The pairing symmetry of interacting Dirac fermions on the π-flux lattice is studied with the determinant quantum Monte Carlo and numerical linked-cluster expansion methods. The s*- (i.e., extended s-) and d-wave pairing symmetries, which are distinct in the conventional square lattice, are degenerate under the Landau gauge. We demonstrate that the dominant pairing channel at strong interactions is an unconventional ds*-wave phase consisting of alternating stripes of s*- and d-wave phases. A complementary mean-field analysis shows that while the s*- and d-wave symmetries individually have nodes in the energy spectrum, the ds* channel is fully gapped. The results represent amore » new realization of pairing in Dirac systems, connected to the problem of chiral d-wave pairing on the honeycomb lattice, which might be more readily accessed by cold-atom experiments.« less

Topological superfluids with finite-momentum pairing and Majorana fermions.

PubMed

Qu, Chunlei; Zheng, Zhen; Gong, Ming; Xu, Yong; Mao, Li; Zou, Xubo; Guo, Guangcan; Zhang, Chuanwei

2013-01-01

Majorana fermions (MFs), quantum particles that are their own antiparticles, are not only of fundamental importance in elementary particle physics and dark matter, but also building blocks for fault-tolerant quantum computation. Recently MFs have been intensively studied in solid state and cold atomic systems. These studies are generally based on superconducting pairing with zero total momentum. On the other hand, finite total momentum Cooper pairings, known as Fulde-Ferrell (FF) Larkin-Ovchinnikov (LO) states, were widely studied in many branches of physics. However, whether FF and LO superconductors can support MFs has not been explored. Here we show that MFs can exist in certain types of gapped FF states, yielding a new quantum matter: topological FF superfluids/superconductors. We demonstrate the existence of such topological FF superfluids and the associated MFs using spin-orbit-coupled degenerate Fermi gases and derive their parameter regions. The implementation of topological FF superconductors in semiconductor/superconductor heterostructures is also discussed.

Few layer epitaxial germanene: a novel two-dimensional Dirac material

NASA Astrophysics Data System (ADS)

Dávila, María Eugenia; Le Lay, Guy

2016-02-01

Monolayer germanene, a novel graphene-like germanium allotrope akin to silicene has been recently grown on metallic substrates. Lying directly on the metal surfaces the reconstructed atom-thin sheets are prone to lose the massless Dirac fermion character and unique associated physical properties of free standing germanene. Here, we show that few layer germanene, which we create by dry epitaxy on a gold template, possesses Dirac cones thanks to a reduced interaction. This finding established on synchrotron-radiation-based photoemission, scanning tunneling microscopy imaging and surface electron diffraction places few layer germanene among the rare two-dimensional Dirac materials. Since germanium is currently used in the mainstream Si-based electronics, perspectives of using germanene for scaling down beyond the 5 nm node appear very promising. Other fascinating properties seem at hand, typically the robust quantum spin Hall effect for applications in spintronics and the engineering of Floquet Majorana fermions by light for quantum computing.

Few layer epitaxial germanene: a novel two-dimensional Dirac material.

PubMed

Dávila, María Eugenia; Le Lay, Guy

2016-02-10

Monolayer germanene, a novel graphene-like germanium allotrope akin to silicene has been recently grown on metallic substrates. Lying directly on the metal surfaces the reconstructed atom-thin sheets are prone to lose the massless Dirac fermion character and unique associated physical properties of free standing germanene. Here, we show that few layer germanene, which we create by dry epitaxy on a gold template, possesses Dirac cones thanks to a reduced interaction. This finding established on synchrotron-radiation-based photoemission, scanning tunneling microscopy imaging and surface electron diffraction places few layer germanene among the rare two-dimensional Dirac materials. Since germanium is currently used in the mainstream Si-based electronics, perspectives of using germanene for scaling down beyond the 5 nm node appear very promising. Other fascinating properties seem at hand, typically the robust quantum spin Hall effect for applications in spintronics and the engineering of Floquet Majorana fermions by light for quantum computing.

Few layer epitaxial germanene: a novel two-dimensional Dirac material

PubMed Central

Dávila, María Eugenia; Le Lay, Guy

2016-01-01

Monolayer germanene, a novel graphene-like germanium allotrope akin to silicene has been recently grown on metallic substrates. Lying directly on the metal surfaces the reconstructed atom-thin sheets are prone to lose the massless Dirac fermion character and unique associated physical properties of free standing germanene. Here, we show that few layer germanene, which we create by dry epitaxy on a gold template, possesses Dirac cones thanks to a reduced interaction. This finding established on synchrotron-radiation-based photoemission, scanning tunneling microscopy imaging and surface electron diffraction places few layer germanene among the rare two-dimensional Dirac materials. Since germanium is currently used in the mainstream Si-based electronics, perspectives of using germanene for scaling down beyond the 5 nm node appear very promising. Other fascinating properties seem at hand, typically the robust quantum spin Hall effect for applications in spintronics and the engineering of Floquet Majorana fermions by light for quantum computing. PMID:26860590

Methods for analysis of selected metals in water by atomic absorption

USGS Publications Warehouse

Fishman, Marvin J.; Downs, Sanford C.

1966-01-01

This manual describes atomic-absorption-spectroscopy methods for determining calcium, copper, lithium, magnesium, manganese, potassium, sodium, strontium and zinc in atmospheric precipitation, fresh waters, and brines. The procedures are intended to be used by water quality laboratories of the Water Resources Division of the U.S. Geological Survey. Detailed procedures, calculations, and methods for the preparation of reagents are given for each element along with data on accuracy, precision, and sensitivity. Other topics discussed briefly are the principle of atomic absorption, instrumentation used, and special analytical techniques.

Lithium atoms on helium nanodroplets: Rydberg series and ionization dynamics

NASA Astrophysics Data System (ADS)

Lackner, Florian; Krois, Günter; Ernst, Wolfgang E.

2017-11-01

The electronic excitation spectrum of lithium atoms residing on the surface of helium nanodroplets is presented and analyzed employing a Rydberg-Ritz approach. Utilizing resonant two-photon ionization spectroscopy, two different Rydberg series have been identified: one assigned to the nS(Σ) series and the other with predominantly nP(Π) character. For high Rydberg states, which have been resolved up to n = 13, the surrounding helium effectively screens the valence electron from the Li ion core, as indicated by the apparent red-shift of Li transitions and lowered quantum defects on the droplet with respect to their free atom counterparts. For low n states, the screening effect is weakened and the prevailing repulsive interaction gives rise to strongly broadened and blue-shifted transitions. The red-shifts originate from the polarization of nearby He atoms by the positive Li ion core. As a consequence of this effect, the ionization threshold is lowered by 116 ± 10 cm-1 for Li on helium droplets with a radius of about 40 Å. Upon single-photon ionization, heavy complexes corresponding to Li ions attached to intact helium droplets are detected. We conclude that ionization close to the on-droplet ionization threshold triggers a dynamic process in which the Li ion core undergoes a transition from a surface site into the droplet.

Formation and Inhibition of Metallic Lithium Microstructures in Lithium Batteries Driven by Chemical Crossover

DOE PAGES

Li, Wangda; Kim, Un-Hyuck; Dolocan, Andrei; ...

2017-05-14

The formation of metallic lithium microstructures in the form of dendrites or mosses at the surface of anode electrodes (e.g., lithium metal, graphite, and silicon) leads to rapid capacity fade and poses grave safety risks in rechargeable lithium batteries. In this work, we present here a direct, relative quantitative analysis of lithium deposition on graphite anodes in pouch cells under normal operating conditions, paired with a model cathode material, the layered nickel-rich oxide LiNi 0.61Co 0.12Mn 0.27O 2, over the course of 3000 charge-discharge cycles. Secondary-ion mass spectrometry chemically dissects the solid-electrolyte interphase (SEI) on extensively cycled graphite with virtuallymore » atomic depth resolution and reveals substantial growth of Li-metal deposits. With the absence of apparent kinetic (e.g., fast charging) or stoichiometric restraints (e.g., overcharge) during cycling, we show lithium deposition on graphite is triggered by certain transition-metal ions (manganese in particular) dissolved from the cathode in a disrupted SEI. This insidious effect is found to initiate at a very early stage of cell operation (<200 cycles) and can be effectively inhibited by substituting a small amount of aluminum (~1 mol %) in the cathode, resulting in much reduced transition-metal dissolution and drastically improved cyclability. In conclusion, our results may also be applicable to studying the unstable electrodeposition of lithium on other substrates, including Li metal.« less

Formation and Inhibition of Metallic Lithium Microstructures in Lithium Batteries Driven by Chemical Crossover

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Wangda; Kim, Un-Hyuck; Dolocan, Andrei

The formation of metallic lithium microstructures in the form of dendrites or mosses at the surface of anode electrodes (e.g., lithium metal, graphite, and silicon) leads to rapid capacity fade and poses grave safety risks in rechargeable lithium batteries. In this work, we present here a direct, relative quantitative analysis of lithium deposition on graphite anodes in pouch cells under normal operating conditions, paired with a model cathode material, the layered nickel-rich oxide LiNi 0.61Co 0.12Mn 0.27O 2, over the course of 3000 charge-discharge cycles. Secondary-ion mass spectrometry chemically dissects the solid-electrolyte interphase (SEI) on extensively cycled graphite with virtuallymore » atomic depth resolution and reveals substantial growth of Li-metal deposits. With the absence of apparent kinetic (e.g., fast charging) or stoichiometric restraints (e.g., overcharge) during cycling, we show lithium deposition on graphite is triggered by certain transition-metal ions (manganese in particular) dissolved from the cathode in a disrupted SEI. This insidious effect is found to initiate at a very early stage of cell operation (<200 cycles) and can be effectively inhibited by substituting a small amount of aluminum (~1 mol %) in the cathode, resulting in much reduced transition-metal dissolution and drastically improved cyclability. In conclusion, our results may also be applicable to studying the unstable electrodeposition of lithium on other substrates, including Li metal.« less

Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method

DOE PAGES

Chen, Mohan; Vella, Joseph R.; Panagiotopoulos, Athanassios Z.; ...

2015-04-08

The structure and dynamics of liquid lithium are studied using two simulation methods: orbital-free (OF) first-principles molecular dynamics (MD), which employs OF density functional theory (DFT), and classical MD utilizing a second nearest-neighbor embedded-atom method potential. The properties we studied include the dynamic structure factor, the self-diffusion coefficient, the dispersion relation, the viscosity, and the bond angle distribution function. Our simulation results were compared to available experimental data when possible. Each method has distinct advantages and disadvantages. For example, OFDFT gives better agreement with experimental dynamic structure factors, yet is more computationally demanding than classical simulations. Classical simulations can accessmore » a broader temperature range and longer time scales. The combination of first-principles and classical simulations is a powerful tool for studying properties of liquid lithium.« less

Atomic Layer Deposition of the Solid Electrolyte LiPON

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kozen, Alexander C.; Pearse, Alexander J.; Lin, Chuan -Fu

We demonstrate an atomic layer deposition (ALD) process for the solid electrolyte lithium phosphorousoxynitride (LiPON) using lithium tert-butoxide (LiO tBu), H 2O, trimethylphosphate (TMP), and plasma N 2 ( PN 2) as precursors. We use in-situ spectroscopic ellipsometry to determine growth rates for process optimization to design a rational, quaternary precursor ALD process where only certain substrate–precursor chemical reactions are favorable. We demonstrate via in-situ XPS tunable nitrogen incorporation into the films by variation of the PN 2 dose and find that ALD films over approximately 4.5% nitrogen are amorphous, whereas LiPON ALD films with less than 4.5% nitrogen aremore » polycrystalline. Lastly, we characterize the ionic conductivity of the ALD films as a function of nitrogen content and demonstrate their functionality on a model battery electrode—a Si anode on a Cu current collector.« less

Core-shell structured ceramic nonwoven separators by atomic layer deposition for safe lithium-ion batteries

NASA Astrophysics Data System (ADS)

Shen, Xiu; Li, Chao; Shi, Chuan; Yang, Chaochao; Deng, Lei; Zhang, Wei; Peng, Longqing; Dai, Jianhui; Wu, Dezhi; Zhang, Peng; Zhao, Jinbao

2018-05-01

Safety is one of the most factors for lithium-ion batteries (LIBs). In this work, a novel kind of ceramic separator with high safety insurance is proposed. We fabricated the core-shell nanofiber separators for LIBs by atomic layer deposition (ALD) of 30 nm Al2O3 on the electrospinning nonwoven fiber of polyvinylidene fluoride-hexafluoropropylene (PVDF-HFP). The separators show a pretty high heat resistance up to 200 °C without any shrinkage, an excellent fire-resistant property and a wide electrochemical window. Besides, with higher uptake and ionic conductivity, cells assembled with the novel separator shows better electrochemical performance. The ALD produced separators exhibit great potential in elaborate products like 3C communications and in energy field with harsh requirements for safety such as electric vehicles. The application of ALD on polymer fiber membranes brings a new strategy and opportunity for improving the safety of the advanced LIBs.

Comparisons of laboratory wavelength measurements with theoretical calculations for neon-like through lithium-like argon, sulfur, and silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lepson, J K; Beiersdorfer, P; Behar, E

Atomic structure codes have a difficult time accurately calculating the wavelengths of many-electron ions without the benefit of laboratory measurements. This is especially true for wavelengths of lines in the extreme ultraviolet and soft x-ray regions. We are using the low-energy capability of the Livermore electron beam ion traps to compile a comprehensive catalog of astrophysically relevant emission lines in support of satellite x-ray observations. Our database includes wavelength measurements, relative intensities, and line assignments, and is compared to a full set of calculations using the Hebrew University - Lawrence Livermore Atomic Code (HULLAC). Mean deviation of HULLAC calculations frommore » our measured wavelength values is highest for L-shell transitions of neon-like ions and lowest for lithium-like ions, ranging from a mean deviation of over 0.5 {angstrom} for Si V to 12 m{angstrom} in Ar XVI.« less

Atomic Layer Deposition of the Solid Electrolyte LiPON

DOE PAGES

Kozen, Alexander C.; Pearse, Alexander J.; Lin, Chuan -Fu; ...

2015-07-09

We demonstrate an atomic layer deposition (ALD) process for the solid electrolyte lithium phosphorousoxynitride (LiPON) using lithium tert-butoxide (LiO tBu), H 2O, trimethylphosphate (TMP), and plasma N 2 ( PN 2) as precursors. We use in-situ spectroscopic ellipsometry to determine growth rates for process optimization to design a rational, quaternary precursor ALD process where only certain substrate–precursor chemical reactions are favorable. We demonstrate via in-situ XPS tunable nitrogen incorporation into the films by variation of the PN 2 dose and find that ALD films over approximately 4.5% nitrogen are amorphous, whereas LiPON ALD films with less than 4.5% nitrogen aremore » polycrystalline. Lastly, we characterize the ionic conductivity of the ALD films as a function of nitrogen content and demonstrate their functionality on a model battery electrode—a Si anode on a Cu current collector.« less

Structural studies of lead lithium borate glasses doped with silver oxide.

PubMed

Coelho, João; Freire, Cristina; Hussain, N Sooraj

2012-02-01

Silver oxide doped lead lithium borate (LLB) glasses have been prepared and characterized. Structural and composition characterization were accessed by XRD, FTIR, Raman, SEM and EDS. Results from FTIR and Raman spectra indicate that Ag(2)O acts as a network modifier even at small quantities by converting three coordinated to four coordinated boron atoms. Other physical properties, such as density, molar volume and optical basicity are also evaluated. Furthermore, they are also affected by the silver oxide composition. Copyright © 2011 Elsevier B.V. All rights reserved.

Many body effects in a widely tunable Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

Ahamdi, Peyman; Wu, Cheng-Hsun; Santiago, Ibon; Park, Jee Woo; Zwierlein, Martin

2011-05-01

A Bose-Einstein condensate immersed in the Fermi sea provides a rich platform for the study of many body effects such as polaron physics, boson-induced superfluidity and models of high-tc superconductivity. Few bosonic impurities in a Fermi sea form bosonic polarons, dressed quasi-particles that can condense, while few fermionic impurities in a Bose condensate might dress into heavy fermions with an immense increase of the effective mass. In an atom trap, both extremes of boson-fermion imbalance can in principle be realized in one and the same sample. Recently we have realized a Bose Einstein condensate of 41K immersed in a Fermi sea of 40K at T /TF = 0.3 and detected a wide Feshbach resonance between them. The mixture's lifetime is long enough so that bosonic polarons should form at an expected binding energy of about 0.6 TF. In this talk I will summarize our observations and the progress we have made to detect polaron physics in Bose-Fermi mixtures. This work was supported by the NSF, AFOSR-MURI, AFOSR-YIP, ARO-MURI, a grant from the Army Research Office with funding from the DARPA OLE program, the David and Lucille Packard Foundation and the Alfred P. Sloan Foundation.

Synthesis and characterization of high performance electrode materials for lithium ion batteries

NASA Astrophysics Data System (ADS)

Hong, Jian

Lithium-ion batteries have revolutionized portable electronics. Electrode reactions in these electrochemical systems are based on reversible intercalation of Li+ ions into the host electrode material with a concomitant addition/removal of electrons into the host. If such batteries are to find a wider market such as the automotive industry, less expensive and higher capacity electrode materials will be required. The olivine phase lithium iron phosphate has attracted the most attention because of its low cost and safety (high thermal and chemical stability). However, it is an intriguing fundamental problem to understand the fast electrochemical response from the poorly electronic conducting two-phase LiFePO4/FePO 4 system. This thesis focuses on determining the rate-limit step of LiFePO4. First, a LiFePO4 material, with vanadium substituting on the P-site, was synthesized, and found that the crystal structure change may cause high lithium diffusivity. Since an accurate Li diffusion coefficient cannot be measured by traditional electrochemical method in a three-electrode cell due to the phase transformation during measurement, a new method to measure the intrinsic electronic and ionic conductivity of mixed conductive LiFePO 4 was developed. This was based on the conductivity measurements of mixed conductive solid electrolyte using electrochemical impedance spectroscopy (EIS) and blocking electrode. The effects of ionic/electronic conductivity and phase transformation on the rate performance of LiFePO4 were also first investigated by EIS and other electrochemical technologies. Based on the above fundamental kinetics studies, an optimized LiFePO4 was used as a target to deposit 1mum LiFePO4 thin film at Oak Ridge National Laboratory using radio frequency (RF) magnetron sputtering. Similar to the carbon coated LiFePO4 powder electrode, the carbon-contained RF LiFePO4 film with no preferential orientation showed excellent capacity and rate capability both at 25°C and -20°C, although the film thickness was over 1 mum. Lithium titanate with the spinel structure is also an important anode material for high power applications. It has a unique feature of zero volume change during lithium ion intercalation, which gives its excellent performance when as nanoparticles. Our results show that a slight reduction of the titanium using hydrogen leads to a high capacity at a high rate even at moderate particle size. Silicon is currently of considerable interest as an anode for lithium secondary electrochemical batteries. The Li-Si alloy system, having average operating voltages below 500 mV versus lithium, can take up to 3.4 lithium ions during intercalation. It is also well known that a 300% volume dilatation is associated with alloying 3.4 lithium atoms per silicon atom. M-Si (M = Fe, Co, and Ni) alloys with nano-silicon domains were introduced as the anode materials for lithium ion batteries. An improved electrochemical performance was found.

Pseudopotential Method for Higher Partial Wave Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idziaszek, Zbigniew; Centrum Fizyki Teoretycznej, Polska Akademia Nauk, 02-668 Warsaw; Calarco, Tommaso

2006-01-13

We present a zero-range pseudopotential applicable for all partial wave interactions between neutral atoms. For p and d waves, we derive effective pseudopotentials, which are useful for problems involving anisotropic external potentials. Finally, we consider two nontrivial applications of the p-wave pseudopotential: we solve analytically the problem of two interacting spin-polarized fermions confined in a harmonic trap, and we analyze the scattering of p-wave interacting particles in a quasi-two-dimensional system.

Unconventional Density Wave and Superfluidity in Cold Atom Systems

DTIC Science & Technology

2014-06-01

species can provide more phase space to renormalize minority pairing channel (i.e, q can be anywhere on that FS branch...and intra-species interactions, Ucf/Uff . . . . . . . 43 5.2 (Left) dxy order parameter for f - and c-fermions. (Right) Real- space particle density of...interlayer tunneling tz = 0.1t. Sketched real space configuration for (d) CDWp and (e) CDW± with a π- phase resonance, where the dashed red lines indicate

Upstream Density for Plasma Detachment with Conventional and Lithium Vapor-Box Divertors

NASA Astrophysics Data System (ADS)

Goldston, Rj; Schwartz, Ja

2016-10-01

Fusion power plants are likely to require detachment of the divertor plasma from material targets. The lithium vapor box divertor is designed to achieve this, while limiting the flux of lithium vapor to the main plasma. We develop a simple model of near-detachment to evaluate the required upstream plasma density, for both conventional and lithium vapor-box divertors, based on particle and dynamic pressure balance between up- and down-stream, at near-detachment conditions. A remarkable general result is found, not just for lithium-induced detachment, that the upstream density divided by the Greenwald-limit density scales as (P 5 / 8 /B 3 / 8) Tdet1 / 2 / (ɛcool + γTdet) , with no explicit size scaling. Tdet is the temperature just before strong pressure loss, 1/2 of the ionization potential of the dominant recycling species, ɛcool is the average plasma energy lost per injected hydrogenic and impurity atom, and γ is the sheath heat transmission factor. A recent 1-D calculation agrees well with this scaling. The implication is that the plasma exhaust problem cannot be solved by increasing R. Instead significant innovation, such as the lithium vapor box divertor, will be required. This work supported by DOE Contract No. DE-AC02-09CH11466.

Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

NASA Astrophysics Data System (ADS)

Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent; Fayon, Franck; Bouchet, Renaud; Deschamps, Michaël

2017-10-01

The intrinsic ionic conductivity of polyethylene oxide (PEO)-based block copolymer electrolytes is often assumed to be identical to the conductivity of the PEO homopolymer. Here, we use high-field 7Li nuclear magnetic resonance (NMR) relaxation and pulsed-field-gradient (PFG) NMR diffusion measurements to probe lithium ion dynamics over nanosecond and millisecond time scales in PEO and polystyrene (PS)-b-PEO-b-PS electrolytes containing the lithium salt LiTFSI. Variable-temperature longitudinal (T1) and transverse (T2) 7Li NMR relaxation rates were acquired at three magnetic field strengths and quantitatively analyzed for the first time at such fields, enabling us to distinguish two characteristic time scales that describe fluctuations of the 7Li nuclear electric quadrupolar interaction. Fast lithium motions [up to O (ns)] are essentially identical between the two polymer electrolytes, including sub-nanosecond vibrations and local fluctuations of the coordination polyhedra between lithium and nearby oxygen atoms. However, lithium dynamics over longer time scales [O (10 ns) and greater] are slower in the block copolymer compared to the homopolymer, as manifested experimentally by their different transverse 7Li NMR relaxation rates. Restricted dynamics and altered thermodynamic behavior of PEO chains anchored near PS domains likely explain these results.

On the bosonic atoms

NASA Astrophysics Data System (ADS)

Amusia, M. Ya.; Chernysheva, L. V.

2018-01-01

We investigate ground state properties of atoms, in which substitute fermions - electrons by bosons, namely π --mesons. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into account symmetry, instead of anti-symmetry of the pair identical bosons wave function. The modified HF approach thus enhances (doubles) the effect of self-action for the boson case. Therefore, we accordingly modify the HF equations by eliminating the self-action terms "by hand". The contribution of meson-meson and meson-nucleon non-Coulomb interaction is inessential at least for atoms with low and intermediate nuclear charge, which is our main subject. We found that the binding energy of pion negative ions A π - , pion atoms A π , and the number of extra bound pions ΔN π increases with the growth of nuclear charge Z. For e.g. Xe ΔN π = 4. As an example of a simple process with a pion atom, we consider photoionization that differs essentially from that for electron atoms. Namely, it is not monotonic decreasing from the threshold but has instead a prominent maximum above threshold. We study also elastic scattering of pions by pion atoms.

Atomic Sulfur Anchored on Silicene, Phosphorene, and Borophene for Excellent Cycle Performance of Li-S Batteries.

PubMed

Li, Fen; Zhao, Jijun

2017-12-13

Dissolution of intermediate lithium polysulfides (LiPS) is an inevitable obstacle for the solid sulfur-based cathode in Li-S batteries. For the first time, herein, atomic sulfur is incorporated into silicene, phosphorene, and borophene to intrinsically eliminate the dissolution of LiPS. The small molecular sulfur species are anchored on the silicene surface with stronger Si-S interaction than the P-S and B-S ones. Meanwhile, a high atomic sulfur coverage (63.1 wt %) is achieved in silicene and concomitantly stabilizes the silicene layer. For the S 3 -covered silicene, a high theoretical capacity of 857 mA h g -1 is achieved with slight dissolution of LiPS originated from the loss of interior S atoms that are not directly bound with silicene surface. By realizing the elemental S 2 coverage on silicene with large surface area, the Li + ions can react fast with the S 2 species, leading to a high theoretical capacity of 891 mA h g -1 without dissolution and migration of the intermediate LiPS. Most interestingly, the discharge products of atomic layer of lithium sulfides on silicene surface exhibit completely different behaviors from the traditional discharge products of solid Li 2 S, which can function as effective adsorption and activation sites for the conversion of LiPS from long chain to short chain by accelerated redox reaction. The present study gains some key insights into how the atomic sulfur contributes to the intrinsic shuttle inhibition and offers a feasible way to design the atomic sulfur-based cathode materials of Li-S batteries with better electrochemical performance.

Computational Evaluation of Amorphous Carbon Coating for Durable Silicon Anodes for Lithium-Ion Batteries

PubMed Central

Hwang, Jeongwoon; Ihm, Jisoon; Lee, Kwang-Ryeol; Kim, Seungchul

2015-01-01

We investigate the structural, mechanical, and electronic properties of graphite-like amorphous carbon coating on bulky silicon to examine whether it can improve the durability of the silicon anodes of lithium-ion batteries using molecular dynamics simulations and ab-initio electronic structure calculations. Structural models of carbon coating are constructed using molecular dynamics simulations of atomic carbon deposition with low incident energies (1–16 eV). As the incident energy decreases, the ratio of sp2 carbons increases, that of sp3 decreases, and the carbon films become more porous. The films prepared with very low incident energy contain lithium-ion conducting channels. Also, those films are electrically conductive to supplement the poor conductivity of silicon and can restore their structure after large deformation to accommodate the volume change during the operations. As a result of this study, we suggest that graphite-like porous carbon coating on silicon will extend the lifetime of the silicon anodes of lithium-ion batteries. PMID:28347087

Three-dimensional graphene foam supported Fe₃O₄ lithium battery anodes with long cycle life and high rate capability.

PubMed

Luo, Jingshan; Liu, Jilei; Zeng, Zhiyuan; Ng, Chi Fan; Ma, Lingjie; Zhang, Hua; Lin, Jianyi; Shen, Zexiang; Fan, Hong Jin

2013-01-01

Fe3O4 has long been regarded as a promising anode material for lithium ion battery due to its high theoretical capacity, earth abundance, low cost, and nontoxic properties. However, up to now no effective and scalable method has been realized to overcome the bottleneck of poor cyclability and low rate capability. In this article, we report a bottom-up strategy assisted by atomic layer deposition to graft bicontinuous mesoporous nanostructure Fe3O4 onto three-dimensional graphene foams and directly use the composite as the lithium ion battery anode. This electrode exhibits high reversible capacity and fast charging and discharging capability. A high capacity of 785 mAh/g is achieved at 1C rate and is maintained without decay up to 500 cycles. Moreover, the rate of up to 60C is also demonstrated, rendering a fast discharge potential. To our knowledge, this is the best reported rate performance for Fe3O4 in lithium ion battery to date.

Eco-friendly preparation of large-sized graphene via short-circuit discharge of lithium primary battery.

PubMed

Kang, Shaohong; Yu, Tao; Liu, Tingting; Guan, Shiyou

2018-02-15

We proposed a large-sized graphene preparation method by short-circuit discharge of the lithium-graphite primary battery for the first time. LiC x is obtained through lithium ions intercalation into graphite cathode in the above primary battery. Graphene was acquired by chemical reaction between LiC x and stripper agents with dispersion under sonication conditions. The gained graphene is characterized by Raman spectrum, X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Atomic force microscope (AFM) and Scanning electron microscopy (SEM). The results indicate that the as-prepared graphene has a large size and few defects, and it is monolayer or less than three layers. The quality of graphene is significant improved compared to the reported electrochemical methods. The yield of graphene can reach 8.76% when the ratio of the H 2 O and NMP is 3:7. This method provides a potential solution for the recycling of waste lithium ion batteries. Copyright © 2017 Elsevier Inc. All rights reserved.

Incommensurate Graphene Foam as a High Capacity Lithium Intercalation Anode

PubMed Central

Paronyan, Tereza M.; Thapa, Arjun Kumar; Sherehiy, Andriy; Jasinski, Jacek B.; Jangam, John Samuel Dilip

2017-01-01

Graphite’s capacity of intercalating lithium in rechargeable batteries is limited (theoretically, 372 mAh g−1) due to low diffusion within commensurately-stacked graphene layers. Graphene foam with highly enriched incommensurately-stacked layers was grown and applied as an active electrode in rechargeable batteries. A 93% incommensurate graphene foam demonstrated a reversible specific capacity of 1,540 mAh g−1 with a 75% coulombic efficiency, and an 86% incommensurate sample achieves above 99% coulombic efficiency exhibiting 930 mAh g−1 specific capacity. The structural and binding analysis of graphene show that lithium atoms highly intercalate within weakly interacting incommensurately-stacked graphene network, followed by a further flexible rearrangement of layers for a long-term stable cycling. We consider lithium intercalation model for multilayer graphene where capacity varies with N number of layers resulting LiN+1C2N stoichiometry. The effective capacity of commonly used carbon-based rechargeable batteries can be significantly improved using incommensurate graphene as an anode material. PMID:28059110

Computational Evaluation of Amorphous Carbon Coating for Durable Silicon Anodes for Lithium-Ion Batteries.

PubMed

Hwang, Jeongwoon; Ihm, Jisoon; Lee, Kwang-Ryeol; Kim, Seungchul

2015-10-13

We investigate the structural, mechanical, and electronic properties of graphite-like amorphous carbon coating on bulky silicon to examine whether it can improve the durability of the silicon anodes of lithium-ion batteries using molecular dynamics simulations and ab-initio electronic structure calculations. Structural models of carbon coating are constructed using molecular dynamics simulations of atomic carbon deposition with low incident energies (1-16 eV). As the incident energy decreases, the ratio of sp ² carbons increases, that of sp ³ decreases, and the carbon films become more porous. The films prepared with very low incident energy contain lithium-ion conducting channels. Also, those films are electrically conductive to supplement the poor conductivity of silicon and can restore their structure after large deformation to accommodate the volume change during the operations. As a result of this study, we suggest that graphite-like porous carbon coating on silicon will extend the lifetime of the silicon anodes of lithium-ion batteries.

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganesh, P.; Kim, Jeongnim; Park, Changwon

2014-11-03

In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

Amorphous vanadium oxide coating on graphene by atomic layer deposition for stable high energy lithium ion anodes.

PubMed

Sun, Xiang; Zhou, Changgong; Xie, Ming; Hu, Tao; Sun, Hongtao; Xin, Guoqing; Wang, Gongkai; George, Steven M; Lian, Jie

2014-09-21

Uniform amorphous vanadium oxide films were coated on graphene via atomic layer deposition and the nano-composite displays an exceptional capacity of ~900 mA h g(-1) at 200 mAg(-1) with an excellent capacity retention at 1 A g(-1) after 200 cycles. The capacity contribution (1161 mA h g(-1)) from vanadium oxide only almost reaches its theoretical value.

Surface Structure of Liquid Li and Na: An ab initio Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

González, D. J.; González, L. E.; Stott, M. J.

2004-02-01

Molecular dynamics simulations of the liquid-vapor interfaces of liquid metals have been performed using first principles methods. Results are presented for liquid lithium and sodium near their respective triple points, for samples of 2000 particles in a slab geometry. The atomic density profiles show a pronounced stratification extending several atomic diameters into the bulk, which is similar to that already experimentally observed in liquid K, Ga, In, and Hg.

Spectra for the reemission of attosecond and shorter electromagnetic pulses by multielectron atoms

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.

2017-08-01

Based on the analytical solution of the Schrödinger equation, we have considered the reemission of attosecond and shorter electromagnetic pulses by multielectron atoms in the sudden perturbation approximation. We have developed a technique of calculating the spectra for the reemission of attosecond and shorter electromagnetic pulses by neutral multielectron atoms with nuclear charges from 1 to 92. The results are presented in the form of analytical formulas dependent on several coefficients and screening parameters tabulated for all of the atoms whose electron densities are described by the well-known Dirac-Hartree-Fock-Slater model. As examples we have calculated the spectra for the reemission by lithium, carbon, calcium, and iron atoms for two types of incident pulse: Gaussian and "sombrero."

Engineering the surface of LiCoO 2 electrodes using atomic layer deposition for stable high-voltage lithium ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Jin; Zhao, Jie; Liu, Yayuan

Here, developing advanced technologies to stabilize positive electrodes of lithium ion batteries under high-voltage operation is becoming increasingly important, owing to the potential to achieve substantially enhanced energy density for applications such as portable electronics and electrical vehicles. Here, we deposited chemically inert and ionically conductive LiAlO 2 interfacial layers on LiCoO 2 electrodes using the atomic layer deposition technique. During prolonged cycling at high-voltage, the LiAlO 2 coating not only prevented interfacial reactions between the LiCoO 2 electrode and electrolyte, as confirmed by electrochemical impedance spectroscopy and Raman characterizations, but also allowed lithium ions to freely diffuse into LiCoOmore » 2 without sacrificing the power density. As a result, a capacity value close to 200 mA·h·g –1 was achieved for the LiCoO 2 electrodes with commercial level loading densities, cycled at the cut-off potential of 4.6 V vs. Li +/Li for 50 stable cycles; this represents a 40% capacity gain, compared with the values obtained for commercial samples cycled at the cut-off potential of 4.2 V vs. Li +/Li.« less

Engineering the surface of LiCoO 2 electrodes using atomic layer deposition for stable high-voltage lithium ion batteries

DOE PAGES

Xie, Jin; Zhao, Jie; Liu, Yayuan; ...

2017-07-25

Here, developing advanced technologies to stabilize positive electrodes of lithium ion batteries under high-voltage operation is becoming increasingly important, owing to the potential to achieve substantially enhanced energy density for applications such as portable electronics and electrical vehicles. Here, we deposited chemically inert and ionically conductive LiAlO 2 interfacial layers on LiCoO 2 electrodes using the atomic layer deposition technique. During prolonged cycling at high-voltage, the LiAlO 2 coating not only prevented interfacial reactions between the LiCoO 2 electrode and electrolyte, as confirmed by electrochemical impedance spectroscopy and Raman characterizations, but also allowed lithium ions to freely diffuse into LiCoOmore » 2 without sacrificing the power density. As a result, a capacity value close to 200 mA·h·g –1 was achieved for the LiCoO 2 electrodes with commercial level loading densities, cycled at the cut-off potential of 4.6 V vs. Li +/Li for 50 stable cycles; this represents a 40% capacity gain, compared with the values obtained for commercial samples cycled at the cut-off potential of 4.2 V vs. Li +/Li.« less

Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakubovich, O. V., E-mail: yakubol@geol.msu.ru; Pekov, I. V.; Steele, I. M.

2009-05-15

The crystal structures of high-alkali beryl, i.e., vorobyevite Cs{sub 0.08}Na{sub 0.42}(H{sub 2}O){sub 0.18+y} x [Al{sub 2}(Be{sub 2.35}Li{sub 0.65})Si{sub 6}O{sub 18}], (a = 9.2102(14) A, c = 9.2179(14) A, space group P6/mcc, Z = 2, {rho}{sub calcd}= 2.74 g/cm{sup 3}) and pezzottaite Cs{sub 0.75}Na{sub 0.23}(H{sub 2}O){sub 0.24}[Al{sub 2}Be{sub 2}Li(Si{sub 6}O{sub 18})] (a = 15.955(3) A, c = 27.810(8) A, space group, R3-barc, Z = 18, {rho}{sub calcd}= 3.13 g/cm{sup 3}), are determined at a temperature of 100 K. It is confirmed that, at a high lithium content in minerals of the beryl group, lithium is selectively incorporated into Be tetrahedra. Themore » positive charge deficit due to the replacement of Be{sup 2+} cations by Li{sup +} cations is compensated by incorporating large alkali cations into the 'zeolite' channel. It is shown that, when the lithium content becomes close to unity per the corresponding formula, the Li and Be atoms are ordered and the rhombohedral structure of pezzottaite is formed. It is proposed to retain the historical name vorobyevite for the lithium- and cesium-containing variety of beryl with a disordered distribution of Be and Li atoms.« less

Ultracold atoms in an optical lattice one millimeter from air

NASA Astrophysics Data System (ADS)

Jervis, Dylan; Edge, Graham; Trotzky, Stefan; McKay, David; Thywissen, Joseph

2013-05-01

Over the past decade, ultracold atoms in optical lattices have shown to be versatile systems able to realize canonical Hamiltonians of condensed matter. High-resolution in-situ imaging of ultracold clouds has furthermore enabled thermometry, equation of state measurements, direct measurement of fluctuations, and unprecedented control. We report on microscopy of ultracold bosons and fermions in a novel configuration where the atoms are harmonically trapped 800 microns away from a 200 micron-thick vacuum window. This window also serves as a retro-reflecting mirror for an optical lattice, into which the atoms can be loaded. Two additional transverse standing waves complete the three-dimensional lattice setup. In free space, we have shown that laser cooling with 405 nm light, on the open 4S1/2-5P3/2 transition, allows for temperatures below the Doppler temperature of the 4S1/2-4P3/2 cycling transition at 767 nm. Microscopy with 405 nm light furthermore reduces the diffraction limit of in-situ imaging.

Quantum simulation of the Hubbard model with dopant atoms in silicon

PubMed Central

Salfi, J.; Mol, J. A.; Rahman, R.; Klimeck, G.; Simmons, M. Y.; Hollenberg, L. C. L.; Rogge, S.

2016-01-01

In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose–Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasi-particle tunnelling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing valence bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model. PMID:27094205

A novel quasi-solid state electrolyte with highly effective polysulfide diffusion inhibition for lithium-sulfur batteries

PubMed Central

Zhong, Hai; Wang, Chunhua; Xu, Zhibin; Ding, Fei; Liu, Xinjiang

2016-01-01

Polymer solid state electrolytes are actively sought for their potential application in energy storage devices, particularly lithium metal rechargeable batteries. Herein, we report a polymer with high concentration salts as a quasi-solid state electrolyte used for lithium-sulfur cells, which shows an ionic conductivity of 1.6 mS cm−1 at room temperature. The cycling performance of Li-S battery with this electrolyte shows a long cycle life (300 cycles) and high coulombic efficiency (>98%), without any consuming additives in the electrolyte. Moreover, it also shows a remarkably decreased self-discharge (only 0.2%) after storage for two weeks at room temperature. The reason can be attributed to that the electrolyte can suppress polysulfide anions diffusion, due to the high ratio oxygen atoms with negative charges which induce an electrical repulsion to the polysulfide anions, and their relatively long chains which can provide additional steric hindrance. Thus, the polysulfide anions can be located around carbon particles, which result in remarkably improved overall electrochemical performance, and also the electrolyte have a function of suppress the formation of lithium dendrites on the lithium anode surface. PMID:27146645

Content and distribution of arsenic, bismuth, lithium and selenium in mineral and synthetic fertilizers and their contribution to soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Senesi, N.; Polemio, M.; Lorusso, L.

1979-01-01

Concentrations of arsenic, bismuth, lithium and selenium were determined by atomic absorption spectrophotometry in 32 samples of commercial fertilizers from various manufacturers and distributors. Arsenic and lithium were detected in all investigated samples, bismuth in 50% of samples and selenium only in two samples. Arsenic content ranged from 2 to 321 ppM; lithium varied from 5 to 0.1 ppM; bismuth was always lower than 0.5 ppM; selenium was detectable at the levels of 10 and 13 ppM. Fertilizers made from rock phosphates contained trace element amounts generally higher than those derived from rock carbonates, synthetic nitrogen fertilizers and potassium sulphate.more » Additions of trace elements from fertilizers applied at common rates to cultivated soils are tabulated and discussed on the basis of the natural soil reserves and toxicity levels for plants. Whereas applications of bismuth resulted always very low to influence the usual soil content and plant uptakes and selenium was only rarely present in fertilizers, lithium and moreover arsenic additions by fertilizers could influence the trace element status in soil, overcoming occasionally the toxicity levels for more sensitive crops.« less

RAPID-L Highly Automated Fast Reactor Concept Without Any Control Rods (2) Critical experiment of lithium-6 used in LEM and LIM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsunoda, Hirokazu; Sato, Osamu; Okajima, Shigeaki

2002-07-01

In order to achieve fully automated reactor operation of RAPID-L reactor, innovative reactivity control systems LEM, LIM, and LRM are equipped with lithium-6 as a liquid poison. Because lithium-6 has not been used as a neutron absorbing material of conventional fast reactors, measurements of the reactivity worth of Lithium-6 were performed at the Fast Critical Assembly (FCA) of Japan Atomic Energy Research Institute (JAERI). The FCA core was composed of highly enriched uranium and stainless steel samples so as to simulate the core spectrum of RAPID-L. The samples of 95% enriched lithium-6 were inserted into the core parallel to themore » core axis for the measurement of the reactivity worth at each position. It was found that the measured reactivity worth in the core region well agreed with calculated value by the method for the core designs of RAPID-L. Bias factors for the core design method were obtained by comparing between experimental and calculated results. The factors were used to determine the number of LEM and LIM equipped in the core to achieve fully automated operation of RAPID-L. (authors)« less

Auger electron spectroscopy analysis for growth interface of cubic boron nitride single crystals synthesized under high pressure and high temperature

NASA Astrophysics Data System (ADS)

Lv, Meizhe; Xu, Bin; Cai, Lichao; Guo, Xiaofei; Yuan, Xingdong

2018-05-01

After rapid cooling, cubic boron nitride (c-BN) single crystals synthesized under high pressure and high temperature (HPHT) are wrapped in the white film powders which are defined as growth interface. In order to make clear that the transition mechanism of c-BN single crystals, the variation of B and N atomic hybrid states in the growth interface is analyzed with the help of auger electron spectroscopy in the Li-based system. It is found that the sp2 fractions of B and N atoms decreases, and their sp3 fractions increases from the outer to the inner in the growth interface. In addition, Lithium nitride (Li3N) are not found in the growth interface by X-ray diffraction (XRD) experiment. It is suggested that lithium boron nitride (Li3BN2) is produced by the reaction of hexagonal boron nitride (h-BN) and Li3N at the first step, and then B and N atoms transform from sp2 into sp3 state with the catalysis of Li3BN2 in c-BN single crystals synthesis process.

High-performance lithium storage based on the synergy of atomic-thickness nanosheets of TiO2(B) and ultrafine Co3O4 nanoparticles

NASA Astrophysics Data System (ADS)

Mujtaba, Jawayria; Sun, Hongyu; Zhao, Yanyan; Xiang, Guolei; Xu, Shengming; Zhu, Jing

2017-09-01

Lithium ion batteries (LIBs) are critical constituents of modern day vehicular and telecommunication technologies. Transition metal oxides and their composites have been extensively studied as potential electrode materials for LIBs. However, inefficient lithiation, poor electrical conductivity, and drastic volume change during cycling result in low reversible capacity and rapid capacity fading, and thus hinder the practical applications of those electrodes. In this work, we report a facile synthesis of a novel hierarchical composites, which consist of ultrafine Co3O4 nanoparticles uniformly dispersed on TiO2(B) nanosheets with atomic thickness (Co3O4 NPs@TiO2(B) NSs). When tested as anode material for LIBs, the Co3O4 NPs@TiO2(B) NSs sample with optimized composition shows a reversible capacity of ∼677.3 mAhg-1 after 80 cycles at a current density of 100 mAg-1. A capacity of 386.2 mAhg-1 is still achieved at 1000 mAg-1. The synergistic effect of ultrafine Co3O4 nanoparticles and atomic-thickness TiO2(B) nanosheets is responsible for the enhanced electrochemical performance.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vissers, Daniel R.; Isheim, Dieter; Zhan, Chun

Lithium-ion batteries utilizing 5 V spinel material, LixMn1.5Ni0.5O4 have received considerable interest in recent years for their ability to deliver high energy and power densities. In this paper, we report an atomic scale analysis of the surface layer of a core–shell 5 V spinel structure where a small amount of the manganese lattice sites have been substituted with cobalt in the shell to reach a stoichiometry of LixMn1.18Ni0.55Co0.27O4. Our analyses include electrochemical analysis, atom probe tomography (APT) analysis, kinetic analysis of the interfacial reactions, and high resolution scanning transmission electron microscopy (HR-TEM) analysis. The APT analysis is performed on themore » material before and after long-term cycling at room temperature to provide insights into the atomic scale phenomena within the surface layer of the electrode material. Our APT data reveals a 25–30 nano-meter (nm) region which forms after cycling. From our analyses, we believe that the outer few nanometers of this region stabilizes the 5 V spinel within the chemical environment of the lithium-ion cell such that its structure is not compromised and thereby enables this material to cycle without significant capacity fading.« less

Atomic layer deposited lithium aluminum oxide: (In)dependency of film properties from pulsing sequence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miikkulainen, Ville, E-mail: ville.miikkulainen@helsinki.fi; Nilsen, Ola; Fjellvåg, Helmer

Atomic layer deposition (ALD) holds markedly high potential of becoming the enabling method for achieving the three-dimensional all-solid-state thin-film lithium ion battery (LiB). One of the most crucial components in such a battery is the electrolyte that needs to hold both low electronic conductivity and at least fair lithium ion conductivity being at the same time pinhole free. To obtain these desired properties in an electrolyte film, one necessarily has to have a good control over the elemental composition of the deposited material. The present study reports on the properties of ALD lithium aluminum oxide (Li{sub x}Al{sub y}O{sub z}) thinmore » films. In addition to LiB electrolyte applications, Li{sub x}Al{sub y}O{sub z} is also a candidate low dielectric constant (low-k) etch stop and diffusion barrier material in nanoelectronics applications. The Li{sub x}Al{sub y}O{sub z} films were deposited employing trimethylaluminum-O{sub 3} and lithium tert-butoxide-H{sub 2}O for Al{sub 2}O{sub 3} and Li{sub 2}O/LiOH, respectively. The composition was aimed to be controlled by varying the pulsing ratio of those two binary oxide ALD cycles. The films were characterized by several methods for composition, crystallinity and phase, electrical properties, hardness, porosity, and chemical environment. Regardless of the applied pulsing ratio of Al{sub 2}O{sub 3} and Li{sub 2}O/LiOH, all the studied ALD Li{sub x}Al{sub y}O{sub z} films of 200 and 400 nm in thickness were polycrystalline in the orthorhombic β-LiAlO{sub 2} phase and also very similar to each other with respect to composition and other studied properties. The results are discussed in the context of both fundamental ALD chemistry and applicability of the films as thin-film LiB electrolytes and low-k etch stop and diffusion barriers.« less

Spontaneous magnetization and anomalous Hall effect in an emergent Dice lattice

PubMed Central

Dutta, Omjyoti; Przysiężna, Anna; Zakrzewski, Jakub

2015-01-01

Ultracold atoms in optical lattices serve as a tool to model different physical phenomena appearing originally in condensed matter. To study magnetic phenomena one needs to engineer synthetic fields as atoms are neutral. Appropriately shaped optical potentials force atoms to mimic charged particles moving in a given field. We present the realization of artificial gauge fields for the observation of anomalous Hall effect. Two species of attractively interacting ultracold fermions are considered to be trapped in a shaken two dimensional triangular lattice. A combination of interaction induced tunneling and shaking can result in an emergent Dice lattice. In such a lattice the staggered synthetic magnetic flux appears and it can be controlled with external parameters. The obtained synthetic fields are non-Abelian. Depending on the tuning of the staggered flux we can obtain either anomalous Hall effect or its quantized version. Our results are reminiscent of Anomalous Hall conductivity in spin-orbit coupled ferromagnets. PMID:26057635

How lithium atoms affect the first hyperpolarizability of BN edge-doped graphene.

PubMed

Song, Yao-Dong; Wu, Li-Ming; Chen, Qiao-Ling; Liu, Fa-Kun; Tang, Xiao-Wen

2016-01-01

How do lithium atoms affect the first hyperpolarizability (β0) of boron-nitrogen (BN) edge-doped graphene. In this work, using pentacene as graphene model, Lin@BN-1 edge-doped pentacene and Lin@BN-2 edge-doped pentacene (n = 1, 5) were designed to study this problem. First, two models (BN-1 edge-doped pentacene, and BN-2 edge-doped pentacene ) were formed by doping the BN into the pentacene with different order, and then Li@BN-1 edge-doped pentacene and Li@ BN-2 edge-doped pentacene were obtained by substituting the H atom in BN edge-doped pentacene with a Li atom. The results show that the first hyperpolarizabilities of BN-1 edge-doped pentacene and Li@BN-1 edge-doped pentacene were 4059 a.u. and 6249 a.u., respectively; the first hyperpolarizabilities of BN-2 edge-doped pentacene and Li@BN-2 edge-doped pentacene were 2491 a.u. and 4265 a.u., respectively. The results indicate that the effect of Li substitution is to greatly increase the β0 value. To further enhance the first hyperpolarizability, Li5@ BN-1 edge-doped pentacene and Li5@BN-2 edge-doped pentacene were designed, and were found to exhibit considerably larger first hyperpolarizabilities (β0) (12,112 a.u. and 7921a.u., respectively). This work may inspire further study of the nonlinear properties of BN edge-doped graphene.

Bottom-up Approach Design, Band Structure, and Lithium Storage Properties of Atomically Thin γ-FeOOH Nanosheets.

PubMed

Song, Yun; Cao, Yu; Wang, Jing; Zhou, Yong-Ning; Fang, Fang; Li, Yuesheng; Gao, Shang-Peng; Gu, Qin-Fen; Hu, Linfeng; Sun, Dalin

2016-08-24

As a novel class of soft matter, two-dimensional (2D) atomic nanosheet-like crystals have attracted much attention for energy storage devices due to the fact that nearly all of the atoms can be exposed to the electrolyte and involved in redox reactions. Herein, atomically thin γ-FeOOH nanosheets with a thickness of ∼1.5 nm are synthesized in a high yield, and the band and electronic structures of the γ-FeOOH nanosheet are revealed using density-functional theory calculations for the first time. The rationally designed γ-FeOOH@rGO composites with a heterostacking structure are used as an anode material for lithium-ion batteries (LIBs). A high reversible capacity over 850 mAh g(-1) after 100 cycles at 200 mA g(-1) is obtained with excellent rate capability. The remarkable performance is attributed to the ultrathin nature of γ-FeOOH nanosheets and 2D heterostacking structure, which provide the minimized Li(+) diffusion length and buffer zone for volume change. Further investigation on the Li storage electrochemical mechanism of γ-FeOOH@rGO indicates that the charge-discharge processes include both conversion reaction and capacitive behavior. This synergistic effect of conversion reaction and capacitive behavior originating from 2D heterostacking structure casts new light on the development of high-energy anode materials.

Bose gases near resonance: Renormalized interactions in a condensate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Fei, E-mail: feizhou@phas.ubc.ca; Mashayekhi, Mohammad S.

2013-01-15

Bose gases at large scattering lengths or beyond the usual dilute limit for a long time have been one of the most challenging problems in many-body physics. In this article, we investigate the fundamental properties of a near-resonance Bose gas and illustrate that three-dimensional Bose gases become nearly fermionized near resonance when the chemical potential as a function of scattering lengths reaches a maximum and the atomic condensates lose metastability. The instability and accompanying maximum are shown to be a precursor of the sign change of g{sub 2}, the renormalized two-body interaction between condensed atoms. g{sub 2} changes from effectivelymore » repulsive to attractive when approaching resonance from the molecular side, even though the scattering length is still positive. This occurs when dimers, under the influence of condensates, emerge at zero energy in the atomic gases at a finite positive scattering length. We carry out our studies of Bose gases via applying a self-consistent renormalization group equation which is further subject to a boundary condition. We also comment on the relation between the approach here and the diagrammatic calculation in an early article [D. Borzov, M.S. Mashayekhi, S. Zhang, J.-L. Song, F. Zhou, Phys. Rev. A 85 (2012) 023620]. - Highlights: Black-Right-Pointing-Pointer A Bose gas becomes nearly fermionized when its chemical potential approaches a maximum near resonance. Black-Right-Pointing-Pointer At the maximum, an onset instability sets in at a positive scattering length. Black-Right-Pointing-Pointer Condensates strongly influence the renormalization flow of few-body running coupling constants. Black-Right-Pointing-Pointer The effective two-body interaction constant changes its sign at a positive scattering length.« less

Long life lithium batteries with stabilized electrodes

DOEpatents

Amine, Khalil [Downers Grove, IL; Liu, Jun [Naperville, IL; Vissers, Donald R [Naperville, IL; Lu, Wenquan [Darien, IL

2009-03-24

The present invention relates to non-aqueous electrolytes having electrode stabilizing additives, stabilized electrodes, and electrochemical devices containing the same. Thus the present invention provides electrolytes containing an alkali metal salt, a polar aprotic solvent, and an electrode stabilizing additive. In some embodiments the additives include a substituted or unsubstituted cyclic or spirocyclic hydrocarbon containing at least one oxygen atom and at least one alkenyl or alkynyl group. When used in electrochemical devices with, e.g., lithium manganese oxide spinel electrodes or olivine or carbon-coated olivine electrodes, the new electrolytes provide batteries with improved calendar and cycle life.

Holographic method for site-resolved detection of a 2D array of ultracold atoms

NASA Astrophysics Data System (ADS)

Hoffmann, Daniel Kai; Deissler, Benjamin; Limmer, Wolfgang; Hecker Denschlag, Johannes

2016-08-01

We propose a novel approach to site-resolved detection of a 2D gas of ultracold atoms in an optical lattice. A near-resonant laser beam is coherently scattered by the atomic array, and after passing a lens its interference pattern is holographically recorded by superimposing it with a reference laser beam on a CCD chip. Fourier transformation of the recorded intensity pattern reconstructs the atomic distribution in the lattice with single-site resolution. The holographic detection method requires only about two hundred scattered photons per atom in order to achieve a high reconstruction fidelity of 99.9 %. Therefore, additional cooling during detection might not be necessary even for light atomic elements such as lithium. Furthermore, first investigations suggest that small aberrations of the lens can be post-corrected in imaging processing.

Molecular dynamics simulations of lithium silicate/vanadium pentoxide interfacial lithium ion diffusion in thin film lithium ion-conducting devices

NASA Astrophysics Data System (ADS)

Li, Weiqun

The lithium ion diffusion behavior and mechanism in the glassy electrolyte and the electrolyte/cathode interface during the initial stage of lithium ion diffusing from electrolyte into cathode were investigated using Molecular Dynamics simulation technique. Lithium aluminosilicate glass electrolytes with different R (ratio of the concentration of Al to Li) were simulated. The structural features of the simulated glasses are analyzed using Radial Distribution Function (RDF) and Pair Distribution Function (PDF). The diffusion coefficient and activation energy of lithium ion diffusion in simulated lithium aluminosilicate glasses were calculated and the values are consistent with those in experimental glasses. The behavior of lithium ion diffusion from the glassy electrolyte into a polycrystalline layered intercalation cathode has been studied. The solid electrolyte was a model lithium silicate glass while the cathode was a nanocrystalline vanadia with amorphous V2O5 intergranular films (IGF) between the V2O5 crystals. Two different orientations between the V2O5 crystal planes are presented for lithium ion intercalation via the amorphous vanadia IGF. A series of polycrystalline vanadia cathodes with 1.3, 1.9, 2.9 and 4.4 nm thickness IGFs were simulated to examine the effects of the IGF thickness on lithium ion transport in the polycrystalline vanadia cathodes. The simulated results showed that the lithium ions diffused from the glassy electrolyte into the IGF of the polycrystalline vanadia cathode and then part of those lithium ions diffused into the crystalline V2O5 from the IGF. The simulated results also showed an ordering of the vanadium ion structure in the IGF near the IGF/V2 O5 interface. The ordering structure still existed with glass former silica additive in IGF. Additionally, 2.9 run is suggested to be the optimal thickness of the IGF, which is neither too thick to decrease the capacity of the cathode nor too thin to impede the transport of lithium from glassy electrolyte into the cathode. Parallel molecular dynamic simulation technique was also used for a larger electrolyte/cathode interface system, which include more atoms and more complicated microstructures. Simulation results from larger electrolyte/cathode interface system prove that there is no size effect on simulation of smaller electrolyte/cathode interface system from statistical point of view.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumada, Nobuhiro, E-mail: kumada@yamanashi.ac.jp; Nakamura, Ayumi; Miura, Akira

A new lithium copper bismuth oxide, LiCuBiO{sub 4} was prepared by hydrothermal reaction using NaBiO{sub 3}0.1*4H{sub 2}O. The crystal structural model of this compound was refined by using synchrotron X-ray powder diffraction data. This bismuthate has the LiCuSbO{sub 4} related structure with the orthorhombic cell (Space group: Pnma) of a=10.9096(9), b=5.8113(5) and c=5.0073(4) Å, and the final R-factors were R{sub wp}=4.84 and R{sub p}=3.58%. This compound is the first example of a lithium copper bismuthate containing Bi{sup 5+}. An antiferromagnetic ordering of Cu{sup 2+} moment was observed at 6 K. - Graphical abstract: In the crystal structure of LiCuBiO{sub 4}more » all metal atoms are coordinated octahedrally by six O atoms and LiO{sub 6} and CuO{sub 6} octahedra form the one-dimensional chains by edge-sharing along the b-axis. The LiO{sub 6} and CuO{sub 6} chains form the layer by face-sharing in the bc plane. The Bi atoms are placed in that interlayer and BiO{sub 6} octahedra are edge-sharing with LiO{sub 6} and CuO{sub 6} octahedra. - Highlights: • A new lithium copper bismuth oxide, LiCuBiO{sub 4} is prepared by hydrothermal reaction. • The crystal structure of LiCuBiO{sub 4} is closely related with that of LiCuSbO{sub 4}. • This new compound exhibits an antiferromagnetic ordering of Cu{sup 2+} moment at 6 K.« less

New Insights into Understanding Irreversible and Reversible Lithium Storage within SiOC and SiCN Ceramics

PubMed Central

Graczyk-Zajac, Magdalena; Reinold, Lukas Mirko; Kaspar, Jan; Sasikumar, Pradeep Vallachira Warriam; Soraru, Gian-Domenico; Riedel, Ralf

2015-01-01

Within this work we define structural properties of the silicon carbonitride (SiCN) and silicon oxycarbide (SiOC) ceramics which determine the reversible and irreversible lithium storage capacities, long cycling stability and define the major differences in the lithium storage in SiCN and SiOC. For both ceramics, we correlate the first cycle lithiation or delithiation capacity and cycling stability with the amount of SiCN/SiOC matrix or free carbon phase, respectively. The first cycle lithiation and delithiation capacities of SiOC materials do not depend on the amount of free carbon, while for SiCN the capacity increases with the amount of carbon to reach a threshold value at ~50% of carbon phase. Replacing oxygen with nitrogen renders the mixed bond Si-tetrahedra unable to sequester lithium. Lithium is more attracted by oxygen in the SiOC network due to the more ionic character of Si-O bonds. This brings about very high initial lithiation capacities, even at low carbon content. If oxygen is replaced by nitrogen, the ceramic network becomes less attractive for lithium ions due to the more covalent character of Si-N bonds and lower electron density on the nitrogen atom. This explains the significant difference in electrochemical behavior which is observed for carbon-poor SiCN and SiOC materials. PMID:28347008

Hierarchical Carbon with High Nitrogen Doping Level: A Versatile Anode and Cathode Host Material for Long-Life Lithium-Ion and Lithium-Sulfur Batteries.

PubMed

Reitz, Christian; Breitung, Ben; Schneider, Artur; Wang, Di; von der Lehr, Martin; Leichtweiss, Thomas; Janek, Jürgen; Hahn, Horst; Brezesinski, Torsten

2016-04-27

Nitrogen-rich carbon with both a turbostratic microstructure and meso/macroporosity was prepared by hard templating through pyrolysis of a tricyanomethanide-based ionic liquid in the voids of a silica monolith template. This multifunctional carbon not only is a promising anode candidate for long-life lithium-ion batteries but also shows favorable properties as anode and cathode host material owing to a high nitrogen content (>8% after carbonization at 900 °C). To demonstrate the latter, the hierarchical carbon was melt-infiltrated with sulfur as well as coated by atomic layer deposition (ALD) of anatase TiO2, both of which led to high-quality nanocomposites. TiO2 ALD increased the specific capacity of the carbon while maintaining high Coulombic efficiency and cycle life: the composite exhibited stable performance in lithium half-cells, with excellent recovery of low rate capacities after thousands of cycles at 5C. Lithium-sulfur batteries using the sulfur/carbon composite also showed good cyclability, with reversible capacities of ∼700 mA·h·g(-1) at C/5 and without obvious decay over several hundred cycles. The present results demonstrate that nitrogen-rich carbon with an interconnected multimodal pore structure is very versatile and can be used as both active and inactive electrode material in high-performance lithium-based batteries.

I.C.E.: a transportable atomic inertial sensor for test in microgravity

NASA Astrophysics Data System (ADS)

Nyman, R. A.; Varoquaux, G.; Clement, J.-F.; Bouyer, P.; Santarelli, G.; Pereira Dos Santos, F.; Clairon, A.; Landragin, A.; Chambon, D.; Lienhart, F.; Boussen, S.; Bresson, A.

2017-11-01

We present our the construction of an atom interferometer for inertial sensing in microgravity, as part of the I.C.E. (Interferometrie Coherente pour l'Espace) collaboration. On-board laser systems have been developed based on fibre-optic components, which are insensitive to mechanical vibrations and acoustic noise, have sub-MHz linewidth, and remain frequency stabilised for weeks at a time. A compact, transportable vacuum system has been built, and used for laser cooling and magneto-optical trapping. We will use a mixture of quantum degenerate gases, bosonic 87Rb and fermionic 40K, in order to find the optimal conditions for precision and sensitivity of inertial measurements. Microgravity will be realised in parabolic flights lasting up to 20s in an Airbus.

Infinite variance in fermion quantum Monte Carlo calculations.

PubMed

Shi, Hao; Zhang, Shiwei

2016-03-01

For important classes of many-fermion problems, quantum Monte Carlo (QMC) methods allow exact calculations of ground-state and finite-temperature properties without the sign problem. The list spans condensed matter, nuclear physics, and high-energy physics, including the half-filled repulsive Hubbard model, the spin-balanced atomic Fermi gas, and lattice quantum chromodynamics calculations at zero density with Wilson Fermions, and is growing rapidly as a number of problems have been discovered recently to be free of the sign problem. In these situations, QMC calculations are relied on to provide definitive answers. Their results are instrumental to our ability to understand and compute properties in fundamental models important to multiple subareas in quantum physics. It is shown, however, that the most commonly employed algorithms in such situations have an infinite variance problem. A diverging variance causes the estimated Monte Carlo statistical error bar to be incorrect, which can render the results of the calculation unreliable or meaningless. We discuss how to identify the infinite variance problem. An approach is then proposed to solve the problem. The solution does not require major modifications to standard algorithms, adding a "bridge link" to the imaginary-time path integral. The general idea is applicable to a variety of situations where the infinite variance problem may be present. Illustrative results are presented for the ground state of the Hubbard model at half-filling.

Massive Dirac fermions in a ferromagnetic kagome metal

NASA Astrophysics Data System (ADS)

Ye, Linda; Kang, Mingu; Liu, Junwei; von Cube, Felix; Wicker, Christina R.; Suzuki, Takehito; Jozwiak, Chris; Bostwick, Aaron; Rotenberg, Eli; Bell, David C.; Fu, Liang; Comin, Riccardo; Checkelsky, Joseph G.

2018-03-01

The kagome lattice is a two-dimensional network of corner-sharing triangles that is known to host exotic quantum magnetic states. Theoretical work has predicted that kagome lattices may also host Dirac electronic states that could lead to topological and Chern insulating phases, but these states have so far not been detected in experiments. Here we study the d-electron kagome metal Fe3Sn2, which is designed to support bulk massive Dirac fermions in the presence of ferromagnetic order. We observe a temperature-independent intrinsic anomalous Hall conductivity that persists above room temperature, which is suggestive of prominent Berry curvature from the time-reversal-symmetry-breaking electronic bands of the kagome plane. Using angle-resolved photoemission spectroscopy, we observe a pair of quasi-two-dimensional Dirac cones near the Fermi level with a mass gap of 30 millielectronvolts, which correspond to massive Dirac fermions that generate Berry-curvature-induced Hall conductivity. We show that this behaviour is a consequence of the underlying symmetry properties of the bilayer kagome lattice in the ferromagnetic state and the atomic spin–orbit coupling. This work provides evidence for a ferromagnetic kagome metal and an example of emergent topological electronic properties in a correlated electron system. Our results provide insight into the recent discoveries of exotic electronic behaviour in kagome-lattice antiferromagnets and may enable lattice-model realizations of fractional topological quantum states.

Boron Neutron Capture Therapy - A Literature Review

PubMed Central

Nedunchezhian, Kavitaa; Thiruppathy, Manigandan; Thirugnanamurthy, Sarumathi

2016-01-01

Boron Neutron Capture Therapy (BNCT) is a radiation science which is emerging as a hopeful tool in treating cancer, by selectively concentrating boron compounds in tumour cells and then subjecting the tumour cells to epithermal neutron beam radiation. BNCT bestows upon the nuclear reaction that occurs when Boron-10, a stable isotope, is irradiated with low-energy thermal neutrons to yield α particles (Helium-4) and recoiling lithium-7 nuclei. A large number of 10 Boron (10B) atoms have to be localized on or within neoplastic cells for BNCT to be effective, and an adequate number of thermal neutrons have to be absorbed by the 10B atoms to maintain a lethal 10B (n, α) lithium-7 reaction. The most exclusive property of BNCT is that it can deposit an immense dose gradient between the tumour cells and normal cells. BNCT integrates the fundamental focusing perception of chemotherapy and the gross anatomical localization proposition of traditional radiotherapy. PMID:28209015

Synthesis of Azanucleosides by Anodic Oxidation in a Lithium Perchlorate-Nitroalkane Medium and Diversification at the 4'-Nitrogen Position.

PubMed

Shoji, Takao; Kim, Shokaku; Chiba, Kazuhiro

2017-03-27

Azanucleosides, in which the 4'-oxygen atom has been replaced with a nitrogen atom, have drawn much attention owing to their anticancer and antivirus activity, and tolerance towards nucleases. However, the traditional synthetic strategy requires multiple steps and harsh conditions, thereby limiting the structural and functional diversity of the products. Herein we describe the synthesis of azanucleosides by an electrochemical reaction in a lithium perchlorate-nitroethane medium, followed by postmodification at the 4'-N position. N-Acryloyl prolinol derivatives were converted into azanucleosides by anodic activation of the N-α-C-H bond. Moreover, the use of nitroethane instead of nitromethane lowered the oxidation potential of the N-acryloyl prolinols and increased the Faradic yield. The prepared azanucleosides were efficiently functionalized at the 4'-N-acryloyl group with a lipophilic alkanethiol and a fluorescent dye by conjugate addition and olefin cross-metathesis, respectively. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The resonant state at filling factor ν = 1/2 in chiral fermionic ladders

NASA Astrophysics Data System (ADS)

Haller, Andreas; Rizzi, Matteo; Burrello, Michele

2018-05-01

Helical liquids have been experimentally realized in both nanowires and ultracold atomic chains as the result of strong spin–orbit interactions. In both cases the inner degrees of freedom can be considered as an additional space dimension, providing an interpretation of these systems as chiral synthetic ladders, with artificial magnetic fluxes determined by the spin–orbit terms. In this work, we characterize the helical state which appears at filling ν = 1/2: this state is generated by a gap arising in the spin sector of the corresponding Luttinger liquid and it can be interpreted as the one-dimensional (1D) limit of a fractional quantum Hall state of bosonic pairs of fermions. We study its main features, focusing on entanglement properties and correlation functions. The techniques developed here provide a key example for the study of similar quasi-1D systems beyond the semiclassical approximation commonly adopted in the description of the Laughlin-like states.

Statistical mechanics and thermodynamic limit of self-gravitating fermions in D dimensions.

PubMed

Chavanis, Pierre-Henri

2004-06-01

We discuss the statistical mechanics of a system of self-gravitating fermions in a space of dimension D. We plot the caloric curves of the self-gravitating Fermi gas giving the temperature as a function of energy and investigate the nature of phase transitions as a function of the dimension of space. We consider stable states (global entropy maxima) as well as metastable states (local entropy maxima). We show that for D> or =4, there exists a critical temperature (for sufficiently large systems) and a critical energy below which the system cannot be found in statistical equilibrium. Therefore, for D> or =4, quantum mechanics cannot stabilize matter against gravitational collapse. This is similar to a result found by Ehrenfest (1917) at the atomic level for Coulomb forces. This makes the dimension D=3 of our Universe very particular with possible implications regarding the anthropic principle. Our study joins a long tradition of scientific and philosophical papers that examined how the dimension of space affects the laws of physics.

Observation of topological states in an optical Raman lattice with ultracold fermions

NASA Astrophysics Data System (ADS)

Song, Bo; He, Chengdong; Zhang, Long; Poon, Ting Fung Jeffrey; Hajiyev, Elnur; Ren, Zejian; Seo, Bojeong; Zhang, Shanchao; Liu, Xiong-Jun; Jo, Gyu-Boong

2017-04-01

The spin-orbit coupling with cold atoms, especially in optical lattices, provides a versatile platform to investigate the intriguing topological matters. In this talk, we will present the realization of one-dimensional spin-dependent lattice dressed by the periodic Raman field. Ultracold 173Yb fermions loaded into an optical Raman lattice reveal non-trivial spin textures due to the band topology, by which we measured topological invariants and determined a topological phase transition. In addition, we explored the non-equilibrium quench dynamics between the topological and the trivial states by suddenly changing the band topology of the optical Raman lattice. The optical Raman lattice demonstrated here opens a new avenue to study the spin-orbit coupling physics and furthermore to realize novel quantum matters such as symmetry-protected topological states. Funded by Croucher Foundation and Research Grants Council (RGC) of Hong Kong (Project ECS26300014, GRF16300215, GRF16311516, and Croucher Innovation Grants); MOST (Grant No. 2016YFA0301604) and NSFC (No. 11574008).

Semi-stochastic full configuration interaction quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Holmes, Adam; Petruzielo, Frank; Khadilkar, Mihir; Changlani, Hitesh; Nightingale, M. P.; Umrigar, C. J.

2012-02-01

In the recently proposed full configuration interaction quantum Monte Carlo (FCIQMC) [1,2], the ground state is projected out stochastically, using a population of walkers each of which represents a basis state in the Hilbert space spanned by Slater determinants. The infamous fermion sign problem manifests itself in the fact that walkers of either sign can be spawned on a given determinant. We propose an improvement on this method in the form of a hybrid stochastic/deterministic technique, which we expect will improve the efficiency of the algorithm by ameliorating the sign problem. We test the method on atoms and molecules, e.g., carbon, carbon dimer, N2 molecule, and stretched N2. [4pt] [1] Fermion Monte Carlo without fixed nodes: a Game of Life, death and annihilation in Slater Determinant space. George Booth, Alex Thom, Ali Alavi. J Chem Phys 131, 050106, (2009).[0pt] [2] Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo. Deidre Cleland, George Booth, and Ali Alavi. J Chem Phys 132, 041103 (2010).

Development of Thin Films as Potential Structural Cathodes to Enable Multifunctional Energy-Storage Structural Composite Batteries for the U.S. Army’s Future Force

DTIC Science & Technology

2011-09-01

glancing angle X - ray diffraction (GAXRD), atomic force microscopy (AFM), scanning electron microscopy (SEM), and electrochemical...Emission SEM FWHM full width at half maximum GAXRD glancing angle X - ray diffraction H3COCH2CH2OH 2-methoxyethanol LiMn2O4 lithium manganese oxide...were characterized by scanning electron microscopy (SEM), X - ray diffraction (XRD), and atomic force microscopy (AFM). In addition,

Nanoscale Solid State Batteries Enabled by Thermal Atomic Layer Deposition of a Lithium Polyphosphazene Solid State Electrolyte

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pearse, Alexander J.; Schmitt, Thomas E.; Fuller, Elliot J.

Several active areas of research in novel energy storage technologies, including three-dimensional solid state batteries and passivation coatings for reactive battery electrode components, require conformal solid state electrolytes. We describe an atomic layer deposition (ALD) process for a member of the lithium phosphorus oxynitride (LiPON) family, which is employed as a thin film lithium-conducting solid electrolyte. The reaction between lithium tert-butoxide (LiO tBu) and diethyl phosphoramidate (DEPA) produces conformal, ionically conductive thin films with a stoichiometry close to Li 2PO 2N between 250 and 300°C. The P/N ratio of the films is always 1, indicative of a particular polymorph ofmore » LiPON which closely resembles a polyphosphazene. Films grown at 300°C have an ionic conductivity of (6.51 ± 0.36)×10 -7 S/cm at 35°C, and are functionally electrochemically stable in the window from 0 to 5.3V vs. Li/Li +. We demonstrate the viability of the ALD-grown electrolyte by integrating it into full solid state batteries, including thin film devices using LiCoO 2 as the cathode and Si as the anode operating at up to 1 mA/cm 2. The high quality of the ALD growth process allows pinhole-free deposition even on rough crystalline surfaces, and we demonstrate the fabrication and operation of thin film batteries with the thinnest (<40nm) solid state electrolytes yet reported. Finally, we show an additional application of the moderate-temperature ALD process by demonstrating a flexible solid state battery fabricated on a polymer substrate.« less

Nanoscale Solid State Batteries Enabled by Thermal Atomic Layer Deposition of a Lithium Polyphosphazene Solid State Electrolyte

DOE PAGES

Pearse, Alexander J.; Schmitt, Thomas E.; Fuller, Elliot J.; ...

2017-04-10

Several active areas of research in novel energy storage technologies, including three-dimensional solid state batteries and passivation coatings for reactive battery electrode components, require conformal solid state electrolytes. We describe an atomic layer deposition (ALD) process for a member of the lithium phosphorus oxynitride (LiPON) family, which is employed as a thin film lithium-conducting solid electrolyte. The reaction between lithium tert-butoxide (LiO tBu) and diethyl phosphoramidate (DEPA) produces conformal, ionically conductive thin films with a stoichiometry close to Li 2PO 2N between 250 and 300°C. The P/N ratio of the films is always 1, indicative of a particular polymorph ofmore » LiPON which closely resembles a polyphosphazene. Films grown at 300°C have an ionic conductivity of (6.51 ± 0.36)×10 -7 S/cm at 35°C, and are functionally electrochemically stable in the window from 0 to 5.3V vs. Li/Li +. We demonstrate the viability of the ALD-grown electrolyte by integrating it into full solid state batteries, including thin film devices using LiCoO 2 as the cathode and Si as the anode operating at up to 1 mA/cm 2. The high quality of the ALD growth process allows pinhole-free deposition even on rough crystalline surfaces, and we demonstrate the fabrication and operation of thin film batteries with the thinnest (<40nm) solid state electrolytes yet reported. Finally, we show an additional application of the moderate-temperature ALD process by demonstrating a flexible solid state battery fabricated on a polymer substrate.« less

Ultracold Fermions in the P-Orbital Band of an Optical Lattice

DTIC Science & Technology

2015-07-27

introduces (1) a new degree of freedom due to orbital degeneracy and (2) a tunneling anisotropy which depends on the orientation of the orbital wavefunction...demonstrated this new technique with a diode -pumped solid-state laser operating at 1342 nm that could be frequency doubled to provide 671 nm light for laser...Figure 3: Self-injection locked, diode -pumped solid-state laser for laser cooling of Li atoms. The solid-state Nd:YVO4 laser at the top consists of a

NASA Tech Briefs, April 2007

NASA Technical Reports Server (NTRS)

2007-01-01

Topics include: Wearable Environmental and Physiological Sensing Unit; Broadband Phase Retrieval for Image-Based Wavefront Sensing; Filter Function for Wavefront Sensing Over a Field of View; Iterative-Transform Phase Retrieval Using Adaptive Diversity; Wavefront Sensing With Switched Lenses for Defocus Diversity; Smooth Phase Interpolated Keying; Maintaining Stability During a Conducted-Ripple EMC Test; Photodiode Preamplifier for Laser Ranging With Weak Signals; Advanced High-Definition Video Cameras; Circuit for Full Charging of Series Lithium-Ion Cells; Analog Nonvolatile Computer Memory Circuits; JavaGenes Molecular Evolution; World Wind 3D Earth Viewing; Lithium Dinitramide as an Additive in Lithium Power Cells; Accounting for Uncertainties in Strengths of SiC MEMS Parts; Ion-Conducting Organic/Inorganic Polymers; MoO3 Cathodes for High-Temperature Lithium Thin-Film Cells; Counterrotating-Shoulder Mechanism for Friction Stir Welding; Strain Gauges Indicate Differential-CTE-Induced Failures; Antibodies Against Three Forms of Urokinase; Understanding and Counteracting Fatigue in Flight Crews; Active Correction of Aberrations of Low-Quality Telescope Optics; Dual-Beam Atom Laser Driven by Spinor Dynamics; Rugged, Tunable Extended-Cavity Diode Laser; Balloon for Long-Duration, High-Altitude Flight at Venus; and Wide-Temperature-Range Integrated Operational Amplifier.

Multistage Mechanism of Lithium Intercalation into Graphite Anodes in the Presence of the Solid Electrolyte Interface.

PubMed

Dinkelacker, Franz; Marzak, Philipp; Yun, Jeongsik; Liang, Yunchang; Bandarenka, Aliaksandr S

2018-04-25

A so-called solid electrolyte interface (SEI) in a lithium-ion battery largely determines the performance of the whole system. However, it is one of the least understood objects in these types of batteries. SEIs are formed during the initial charge-discharge cycles, prevent the organic electrolytes from further decomposition, and at the same time govern lithium intercalation into the graphite anodes. In this work, we use electrochemical impedance spectroscopy and atomic force microscopy to investigate the properties of a SEI film and an electrified "graphite/SEI/electrolyte interface". We reveal a multistage mechanism of lithium intercalation and de-intercalation in the case of graphite anodes covered by SEI. On the basis of this mechanism, we propose a relatively simple model, which perfectly explains the impedance response of the "graphite/SEI/electrolyte" interface at different temperatures and states of charge. From the whole data obtained in this work, it is suggested that not only Li + but also negatively charged species, such as anions from the electrolyte or functional groups of the SEI, likely interact with the surface of the graphite anode.

Atom probe tomography of lithium-doped network glasses.

PubMed

Greiwe, Gerd-Hendrik; Balogh, Zoltan; Schmitz, Guido

2014-06-01

Li-doped silicate and borate glasses are electronically insulating, but provide considerable ionic conductivity. Under measurement conditions of laser-assisted atom probe tomography, mobile Li ions are redistributed in response to high electric fields. In consequence, the direct interpretation of measured composition profiles is prevented. It is demonstrated that composition profiles are nevertheless well understood by a complex model taking into account the electronic structure of dielectric materials, ionic mobility and field screening. Quantitative data on band bending and field penetration during measurement are derived which are important in understanding laser-assisted atom probe tomography of dielectric materials. Copyright © 2014 Elsevier B.V. All rights reserved.

Prompt triggering of edge localized modes through lithium granule injection on EAST

NASA Astrophysics Data System (ADS)

Lunsford, Robert; Sun, Z.; Hu, J. S.; Xu, W.; Zuo, G. Z.; Gong, X. Z.; Wan, B. N.; Li, J. G.; Huang, M.; Maingi, R.; Diallo, A.; Tritz, K.; the EAST Team

2017-10-01

We report successful triggering of edge localized mode (ELMs) in EAST with Lithium (Li) micropellets, and the observed dependence of ELM triggering efficiency on granule size. ELM control is essential for successful ITER operation throughout the entire campaign, relying on magnetic perturbations for ELM suppression and ELM frequency enhancement via pellet injection. To separate the task of fueling from ELM pacing, we initiate the prompt generation of ELMs via impurity granule injection. Lithium granules ranging in size from 200 - 1000 microns are mechanically injected into upper-single null EAST long pulse H-mode discharges. The injections are monitored for their effect on high Z impurity accumulation and to assess the pressure perturbation required for reliable ELM triggering. We have determined that granules of diameter larger than 600 microns (corresponding to 5.2 x 1018 Li atoms) are successful at triggering ELMs more than 90% of the time. The triggering efficiency drops precipitously to less than 40% as the granule size is reduced to 400 microns (1.5 x 1018 Li atoms), indicating a triggering threshold has been crossed. Using this information an optimal impurity granule size which will regularly trigger a prompt ELM in these EAST discharges is determined. Coupling these results with alternate discharge scenarios on EAST and similar experiments performed on DIII-D provides the possibility of extrapolation to future devices.

Dynamics behavior of lithium in graphite lattice: MD calculation approach

NASA Astrophysics Data System (ADS)

Shimizu, A.; Tachikawa, H.

2000-12-01

In order to investigate the diffusion process of Li atom in graphite, molecular dynamics simulation was achieved on the basis of molecular mechanics 2 (MM2) method using four layers cluster model one of which is composed of C150H30 with terminating hydrogen atoms. According to the simulations at 500 K, Li atom stabilizes initially around the center of mass, gets out of the graphite layers after 3.0 ps through diffusion, which is different from the movement of Li+ ion captured by the dangling bonds of the edge carbon atoms. The diffusion process of Li atom is found to be composed of following four steps in series: (1) vibration around the stabilization point; (2) bulk diffusion; (3) vibration under influence of the dangling bonds of edge carbon atoms; and (4) escape from the graphite layers. The diffusivity for step (3) is smaller than that for step (2).

Evaluation of lithium serum level in multiple sclerosis patients: A neuroprotective element.

PubMed

Karimi, Atieh; Bahrampour, Kobra; Momeni Moghaddam, Mohammad Amin; Asadikaram, Gholamreza; Ebrahimi, Ghasem; Torkzadeh-Mahani, Masoud; Esmaeili Tarzi, Mojdeh; Nematollahi, Mohammad Hadi

2017-10-01

It has been claimed that continuous and high production of nitric oxide (NO) and its metabolites may be involved in the pathogenesis of several neurological disorders such as multiple sclerosis. A number of studies have demonstrated that lithium regulates NO levels in disorders of the central nervous system. The aim of this study was to investigate whether NO as a marker of disease activity is correlated with lithium deficiency in relapsing remitting multiple sclerosis (RR-MS). This case-controlled study comprised 44 patients with RR-MS and 43 healthy subjects matched by age, gender, smoking status, and body mass index. The Griess reaction was used to measure the NO metabolites, nitrite and nitrate in serum. In addition serum lithium levels were measured using atomic absorption spectrometry method. The mean serum NO concentrations in the groups RR-MS and the control were 18.5 ± 3.1µM and 15.5 ± 2.9µM, respectively. Data analysis showed a statistically significant difference between subjects with RR-MS and the control group (p < 0.05). Furthermore, serum lithium concentrations in RR-MS (0.57 ± 0.2) were remarkably lower in RR-MS patients than the controls (2.29 ± 0.7) (p < 0.05). The present findings suggest that lithium deficiency may upregulates NO production in RR-MS. Further studies with larger samples are needed to confirm the effects of lithium treatment on NO pathway and its association with synaptic plasticity in RR-MS patients. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of nanopatterning on mechanical properties of Lithium anode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campbell, Colin; Lee, Yong Min; Cho, Kuk Young

One of the challenges in developing Lithium anodes for Lithium ion batteries (LIB) is controlling the formation of Li dendrites during cycling of the battery. Nanostructuring and nanopatterning of electrodes shows a promising way to suppress the growth of Li dendrites. However, in order to control this behavior, a fundamental understanding of the effect of nanopatterning on the electromechanical properties of Li metal is necessary. In this paper, we have investigated the mechanical and wear properties of Li metal using Atomic Force Microscopy (AFM) in an airtight cell. By using different load regimes, we determined the mechanical properties of Limore » metal. Here, we show that as a result of nanopatterning, Li metal surface underwent work hardening due to residual compressive stress. The presence of such stresses can help to improve cycle lifetime of LIBs with Li anodes and obtain very high energy densities.« less

Electrical relaxation, optical and magnetic studies of nanocrystalline lithium ferrite synthesized by different chemical routes

NASA Astrophysics Data System (ADS)

Cheruku, Rajesh; Govindaraj, G.; Vijayan, Lakshmi

2017-12-01

The nanocrystalline lithium ferrite was synthesized by wet chemical methods such as solution combustion technique, sol-gel, and hydrothermal for a comparative study. Different characterization techniques like x-ray powder diffraction and thermal analysis were employed to confirm the structure and phase. Temperature-dependent Raman analysis was employed to classify the phonon modes associated with precise atomic motions existing in the synthesized materials. Morphology of sample surface was explored by scanning electron microscopy, and elemental analysis was done by energy dispersive spectroscopy analysis. The nanocrystalline nature of the materials was confirmed through transmission electron microscopy. Magnetic properties of these samples were explored through a vibrating sample magnetometer. Ac electrical impedance spectroscopy data were investigated using two Cole-Cole functions, and activation energies were calculated for all materials. Among them, solution combustion prepared lithium ferrite shows the highest conductivity and lowest activation energy.

Effect of nanopatterning on mechanical properties of Lithium anode

DOE PAGES

Campbell, Colin; Lee, Yong Min; Cho, Kuk Young; ...

2018-02-06

One of the challenges in developing Lithium anodes for Lithium ion batteries (LIB) is controlling the formation of Li dendrites during cycling of the battery. Nanostructuring and nanopatterning of electrodes shows a promising way to suppress the growth of Li dendrites. However, in order to control this behavior, a fundamental understanding of the effect of nanopatterning on the electromechanical properties of Li metal is necessary. In this paper, we have investigated the mechanical and wear properties of Li metal using Atomic Force Microscopy (AFM) in an airtight cell. By using different load regimes, we determined the mechanical properties of Limore » metal. Here, we show that as a result of nanopatterning, Li metal surface underwent work hardening due to residual compressive stress. The presence of such stresses can help to improve cycle lifetime of LIBs with Li anodes and obtain very high energy densities.« less

Enhancement of porous silicon photoluminescence property by lithium chloride treatment

NASA Astrophysics Data System (ADS)

Azaiez, Khawla; Zaghouani, Rabia Benabderrahmane; Khamlich, Saleh; Meddeb, Hosny; Dimassi, Wissem

2018-05-01

Porous silicon (PS) decorated by several nanostructured metal elements has still aroused interests as promising composites in many industrial applications. With the focus mainly on the synthesis, the aspect of stability against optical irradiation of such materials has so far not been thoroughly addressed. This work focuses primarily on the influence of lithium chloride solution (LiCl) treatment on the physical properties of PS. Variations in the structural and optoelectronic properties of PS were observed after immersion in (LiCl), as revealed by the obtained analyses. Moreover, enhanced photoluminescence (PL) property of the PS after passivation by lithium particles was clearly shown, and their presence on the surface of the microporous silicon was confirmed by FTIR spectroscopy and atomic force microscopy. An improvement of the minority carrier lifetime was also obtained, which was attributed to the decrease of the surface recombination velocity after LiCl treatment.

Combining operando synchrotron X-ray tomographic microscopy and scanning X-ray diffraction to study lithium ion batteries

PubMed Central

Pietsch, Patrick; Hess, Michael; Ludwig, Wolfgang; Eller, Jens; Wood, Vanessa

2016-01-01

We present an operando study of a lithium ion battery combining scanning X-ray diffraction (SXRD) and synchrotron radiation X-ray tomographic microscopy (SRXTM) simultaneously for the first time. This combination of techniques facilitates the investigation of dynamic processes in lithium ion batteries containing amorphous and/or weakly attenuating active materials. While amorphous materials pose a challenge for diffraction techniques, weakly attenuating material systems pose a challenge for attenuation-contrast tomography. Furthermore, combining SXRD and SRXTM can be used to correlate processes occurring at the atomic level in the crystal lattices of the active materials with those at the scale of electrode microstructure. To demonstrate the benefits of this approach, we investigate a silicon powder electrode in lithium metal half-cell configuration. Combining SXRD and SRXTM, we are able to (i) quantify the dissolution of the metallic lithium electrode and the expansion of the silicon electrode, (ii) better understand the formation of the Li15Si4 phase, and (iii) non-invasively probe kinetic limitations within the silicon electrode. A simple model based on the 1D diffusion equation allows us to qualitatively understand the observed kinetics and demonstrates why high-capacity electrodes are more prone to inhomogeneous lithiation reactions. PMID:27324109

Combining operando synchrotron X-ray tomographic microscopy and scanning X-ray diffraction to study lithium ion batteries

NASA Astrophysics Data System (ADS)

Pietsch, Patrick; Hess, Michael; Ludwig, Wolfgang; Eller, Jens; Wood, Vanessa

2016-06-01

We present an operando study of a lithium ion battery combining scanning X-ray diffraction (SXRD) and synchrotron radiation X-ray tomographic microscopy (SRXTM) simultaneously for the first time. This combination of techniques facilitates the investigation of dynamic processes in lithium ion batteries containing amorphous and/or weakly attenuating active materials. While amorphous materials pose a challenge for diffraction techniques, weakly attenuating material systems pose a challenge for attenuation-contrast tomography. Furthermore, combining SXRD and SRXTM can be used to correlate processes occurring at the atomic level in the crystal lattices of the active materials with those at the scale of electrode microstructure. To demonstrate the benefits of this approach, we investigate a silicon powder electrode in lithium metal half-cell configuration. Combining SXRD and SRXTM, we are able to (i) quantify the dissolution of the metallic lithium electrode and the expansion of the silicon electrode, (ii) better understand the formation of the Li15Si4 phase, and (iii) non-invasively probe kinetic limitations within the silicon electrode. A simple model based on the 1D diffusion equation allows us to qualitatively understand the observed kinetics and demonstrates why high-capacity electrodes are more prone to inhomogeneous lithiation reactions.

Use of Tween Polymer To Enhance the Compatibility of the Li/Electrolyte Interface for the High-Performance and High-Safety Quasi-Solid-State Lithium-Sulfur Battery.

PubMed

Liu, Jie; Qian, Tao; Wang, Mengfan; Zhou, Jinqiu; Xu, Na; Yan, Chenglin

2018-06-07

Lithium metal batteries have attracted increasing attention recently due to their particular advantages in energy density. However, as for their practical application, the development of solid-state lithium metal batteries is restricted because of the poor Li/electrolyte interface, low Li-ion conductivity, and irregular growth of Li dendrites. To address the above issues, we herein report a high Li-ion conductivity and compatible polymeric interfacial layer by grafting tween-20 on active lithium metal. Sequential oxyethylene groups in tween-grafted Li (TG-Li) improve the ion conductivity and the compatibility of the Li/electrolyte interface, which enables low overpotentials and stable performance over 1000 cycles. Consequently, the poly(ethylene oxide)-based solid-state lithium-sulfur battery with TG-Li exhibits a high reversible capacity of 1051.2 mA h g -1 at 0.2 C (1 C = 1675 mA h g -1 ) and excellent stability for 500 cycles at 2 C. The decreasing concentration of the sulfur atom with increasing Ar + sputtering depth indicates that the polymer interfacial layer works well in suppressing polysulfide reduction to Li 2 S/Li 2 S 2 on the metallic Li surface even after long-term cycling.

Antisense Oligodeoxynucleotide Inhibition of HIV Gene Expression

DTIC Science & Technology

1989-03-20

synthesis using trimethoxybenzyl side chain protection for Gln, the highly efficient benzotriazolyloxy tris(dimethylamino) phosphonium hexafluorophosphate ...0 - P - 0 -0 - O - - OH + Li OLi OLi OLi R 0 Fig. 11. Fai.t atom bombardment ma.ss spectroscopy of the lithium salt of 5’-trityl-CUAA, sputtered from

Material Science

NASA Image and Video Library

2003-02-09

Materials with a smaller mean atomic mass, such as lithium (Li) hydride and polyethylene, make the best radiation shields for astronauts. The materials have a higher density of nuclei and are better able to block incoming radiation. Also, they tend to produce fewer and less dangerous secondary particles after impact with incoming radiation.

Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments.

PubMed

Engelhardt, Felix; Maaß, Christian; Andrada, Diego M; Herbst-Irmer, Regine; Stalke, Dietmar

2018-03-28

Lithium amides are versatile C-H metallation reagents with vast industrial demand because of their high basicity combined with their weak nucleophilicity, and they are applied in kilotons worldwide annually. The nuclearity of lithium amides, however, modifies and steers reactivity, region- and stereo-selectivity and product diversification in organic syntheses. In this regard, it is vital to understand Li-N bonding as it causes the aggregation of lithium amides to form cubes or ladders from the polar Li-N covalent metal amide bond along the ring stacking and laddering principle. Deaggregation, however, is more governed by the Li←N donor bond to form amine adducts. The geometry of the solid state structures already suggests that there is σ- and π-contribution to the covalent bond. To quantify the mutual influence, we investigated [{(Me 2 NCH 2 ) 2 (C 4 H 2 N)}Li] 2 ( 1 ) by means of experimental charge density calculations based on the quantum theory of atoms in molecules (QTAIM) and DFT calculations using energy decomposition analysis (EDA). This new approach allows for the grading of electrostatic Li + N - , covalent Li-N and donating Li←N bonding, and provides a way to modify traditional widely-used heuristic concepts such as the -I and +I inductive effects. The electron density ρ ( r ) and its second derivative, the Laplacian ∇ 2 ρ ( r ), mirror the various types of bonding. Most remarkably, from the topological descriptors, there is no clear separation of the lithium amide bonds from the lithium amine donor bonds. The computed natural partial charges for lithium are only +0.58, indicating an optimal density supply from the four nitrogen atoms, while the Wiberg bond orders of about 0.14 au suggest very weak bonding. The interaction energy between the two pincer molecules, (C 4 H 2 N) 2 2- , with the Li 2 2+ moiety is very strong ( ca. -628 kcal mol -1 ), followed by the bond dissociation energy (-420.9 kcal mol -1 ). Partitioning the interaction energy into the Pauli (Δ E Pauli ), dispersion (Δ E disp ), electrostatic (Δ E elstat ) and orbital (Δ E orb ) terms gives a 71-72% ionic and 25-26% covalent character of the Li-N bond, different to the old dichotomy of 95 to 5%. In this regard, there is much more potential to steer the reactivity with various substituents and donor solvents than has been anticipated so far.

Flexible free-standing TiO2/graphene/PVdF films as anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Ren, H. M.; Ding, Y. H.; Chang, F. H.; He, X.; Feng, J. Q.; Wang, C. F.; Jiang, Y.; Zhang, P.

2012-12-01

Graphene composites were prepared by hydrothermal method using titanium dioxide (TiO2) adsorbed graphene oxide (GO) sheets as precursors. Free-standing hybrid films for lithium-ion batteries were prepared by adding TiO2/graphene composites to the polyvinylidene fluoride (PVdF)/N-methyl-2-pyrrolidone (NMP) solution, followed by a solvent evaporation technique. These films were characterized by atomic force microscopy (AFM), X-ray diffraction (XRD), scanning electron microscopy (SEM) and various electrochemical techniques. Flexible films show an excellent cycling performance, which was attributed to the interconnected graphene conducting network, which depressed the increasing of electric resistance during the cycling.

Nitrogen--sulfur--carbon nanocomposites and their application as cathode materials in lithium--sulfur batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dai, Sheng; Sun, Xiao-Guang; Guo, Bingkun

The invention is directed in a first aspect to electron-conducting porous compositions comprising an organic polymer matrix doped with nitrogen atoms and having elemental sulfur dispersed therein, particularly such compositions having an ordered framework structure. The invention is also directed to composites of such S/N-doped electron-conducting porous aromatic framework (PAF) compositions, or composites of an S/N-doped mesoporous carbon composition, which includes the S/N-doped composition in admixture with a binder, and optionally, conductive carbon. The invention is further directed to cathodes for a lithium-sulfur battery in which such composites are incorporated.

Structural Study of Liquid Lithium Niobate by Neutron Diffraction Role of the Li Atom in the Clustering Near Solidification

NASA Astrophysics Data System (ADS)

Andonov, P.; Fischer, H. E.; Palleau, P.; Kimura, S.

2001-05-01

The structure of liquid LiNbO3 has been investigated by neutron diffraction using samples with different isotopic composition of lithium. The intensity scattered by these samples has been measured for momentum transfers 0.4 Å-1 T> 1500 K, which include the undercooling domain. From an analysis of the correlation functions Gij(r) of the atomic pairs Li-Li, Li-Nb, Li-O and their structural evolutions, given by Δ Gi-j (r) = Gi-j(r)1500 -Gi-j(r)1550 made with reference to the crystalline LiNbO3 ferroelectric structure, it was possible to confirm a local ordering similar to that of the crystal. The presence of clusters (groupings of NbO3 octahedra) is confirmed. Both regular and irregular N b06 octahedra are observed in the liquid near solidification. With its high mobil­ity in the melt, the Li atom plays an important role in the clustering: the Li-O and Li-Nb bonds make possible the staking of four octahedra groups into clusters of eight octahedra or more. The Li-Li bonds join these groups. The diameter of the clusters is a least 22 Å in the undercooling regime.

Lanthanide anilido complexes: synthesis, characterization, and use as highly efficient catalysts for hydrophosphonylation of aldehydes and unactivated ketones.

PubMed

Liu, Chengwei; Qian, Qinqin; Nie, Kun; Wang, Yaorong; Shen, Qi; Yuan, Dan; Yao, Yingming

2014-06-14

Lanthanide anilido complexes stabilized by the 2,6-diisopropylanilido ligand have been synthesized and characterized, and their catalytic activity for hydrophosphonylation reaction was explored. A reaction of anhydrous LnCl3 with 5 equivalents of LiNHPh-(I)Pr2-2,6 in THF generated the heterobimetallic lanthanide-lithium anilido complexes (2,6-(I)Pr2PhNH)5LnLi2(THF)2 [Ln = Sm(1), Nd(2), Y(3)] in good isolated yields. These complexes are well characterized by elemental analysis, IR, NMR (for complex ) and single-crystal structure determination. Complexes 1 - 3 are isostructural. In these complexes, the lanthanide metal ion is five-coordinated by five nitrogen atoms from five 2,6-diisopropylanilido ligands to form a distorted trigonal bipyramidal geometry. The lithium ion is coordinated by two nitrogen atoms from two 2,6-diisopropylanilido ligands, and one oxygen atom from a THF molecule. It was found that these simple lanthanide anilido complexes are highly efficient for catalyzing hydrophosphonylation reactions of various aldehydes and unactivated ketones to generate α-hydroxyphosphonates in good to excellent yields (up to 99%) within a short time (5 min for aldehydes, 20 min for ketones). Furthermore, the mechanism of hydrophosphonylation reactions has also been elucidated via(1)H NMR monitoring of reaction.

Choosing the best molecular precursor to prepare Li4Ti5O12 by the sol-gel method using (1)H NMR: evidence of [Ti3(OEt)13](-) in solution.

PubMed

García-Herbosa, Gabriel; Aparicio, Mario; Mosa, Jadra; Cuevas, José V; Torroba, Tomás

2016-09-21

(1)H NMR spectroscopy at 400 MHz in toluene-d8 of evaporated mixtures of lithium ethoxide and titanium(iv) isopropoxide in ethanol, used to prepare the spinel Li4Ti5O12 by the sol-gel method, may help clarify why the atomic ratio 5Li : 5Ti and not 4Li : 5Ti is the right choice to obtain the pure phase when performing hydrolysis at room temperature. The mixtures xLiOEt/yTi(OPr(i))4 in ethanol undergo alcohol exchange at room temperature, and the evaporated residues contain double lithium-titanium ethoxide [LiTi3(OEt)13] rather than simple mixtures of single metal alkoxides; this is of great relevance to truly understanding the chemistry and structural changes in the sol-gel process. Detailed inspection of the (1)H and (13)C VT NMR spectra of mixtures with different Li/Ti atomic ratios unequivocally shows the formation of [LiTi3(OEt)13] in a solution at low temperature. The methylene signals of free lithium ethoxide and Li[Ti3(OEt)13] coalesce at 20 °C when the atomic ratio is 5 : 5; however, the same coalescence is only observed above 60 °C when the atomic ratio is 4 : 5. We suggest that the highest chemical equivalence observed by (1)H NMR spectroscopy achieved through chemical exchange of ethoxide groups involves the highest microscopic structural homogeneity of the sol precursor and will lead to the best gel after hydrolysis. Variable temperature (1)H NMR spectra at 400 MHz of variable molar ratios of LiOEt/Ti(OPr(i))4 are discussed to understand the structural features of the sol precursor. While the precursor with the atomic ratio 5Li : 5Ti shows no signal of free LiOEt at 20 °C, both 4Li : 5Ti and 7Li : 5Ti show free LiOEt at 20 °C in their (1)H NMR spectra, indicating that the molar ratio 5Li : 5Ti gives the maximum rate of chemical exchange. DFT calculations have been performed to support the structure of the anion [Ti3(OEt)13](-) at room temperature.

Thermodynamics of one-dimensional SU(4) and SU(6) fermions with attractive interactions

NASA Astrophysics Data System (ADS)

Hoffman, M. D.; Loheac, A. C.; Porter, W. J.; Drut, J. E.

2017-03-01

Motivated by advances in the manipulation and detection of ultracold atoms with multiple internal degrees of freedom, we present a finite-temperature lattice Monte Carlo calculation of the density and pressure equations of state, as well as Tan's contact, of attractively interacting SU(4)- and SU(6)-symmetric fermion systems in one spatial dimension. We also furnish a nonperturbative proof of a universal relation whereby quantities computable in the SU(2) case completely determine the virial coefficients of the SU(Nf) case. These one-dimensional systems are appealing because they can be experimentally realized in highly constrained traps and because of the dominant role played by correlations. The latter are typically nonperturbative and are crucial for understanding ground states and quantum phase transitions. While quantum fluctuations are typically overpowered by thermal ones in one and two dimensions at any finite temperature, we find that quantum effects do leave their imprint in thermodynamic quantities. Our calculations show that the additional degrees of freedom, relative to the SU(2) case, provide a dramatic enhancement of the density and pressure (in units of their noninteracting counterparts) in a wide region around vanishing β μ , where β is the inverse temperature and μ the chemical potential. As shown recently in experiments, the thermodynamics we explore here can be measured in a controlled and precise fashion in highly constrained traps and optical lattices. Our results are a prediction for such experiments in one dimension with atoms of high nuclear spin.

Ultracold Atoms in a Square Lattice with Spin-Orbit Coupling: Charge Order, Superfluidity, and Topological Signatures

NASA Astrophysics Data System (ADS)

Rosenberg, Peter; Shi, Hao; Zhang, Shiwei

2017-12-01

We present an ab initio, numerically exact study of attractive fermions in square lattices with Rashba spin-orbit coupling. The ground state of this system is a supersolid, with coexisting charge and superfluid order. The superfluid is composed of both singlet and triplet pairs induced by spin-orbit coupling. We perform large-scale calculations using the auxiliary-field quantum Monte Carlo method to provide the first full, quantitative description of the charge, spin, and pairing properties of the system. In addition to characterizing the exotic physics, our results will serve as essential high-accuracy benchmarks for the intense theoretical and especially experimental efforts in ultracold atoms to realize and understand an expanding variety of quantum Hall and topological superconductor systems.

Bold Diagrammatic Monte Carlo for Fermionic and Fermionized Systems

NASA Astrophysics Data System (ADS)

Svistunov, Boris

2013-03-01

In three different fermionic cases--repulsive Hubbard model, resonant fermions, and fermionized spins-1/2 (on triangular lattice)--we observe the phenomenon of sign blessing: Feynman diagrammatic series features finite convergence radius despite factorial growth of the number of diagrams with diagram order. Bold diagrammatic Monte Carlo technique allows us to sample millions of skeleton Feynman diagrams. With the universal fermionization trick we can fermionize essentially any (bosonic, spin, mixed, etc.) lattice system. The combination of fermionization and Bold diagrammatic Monte Carlo yields a universal first-principle approach to strongly correlated lattice systems, provided the sign blessing is a generic fermionic phenomenon. Supported by NSF and DARPA

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes

DOE PAGES

Wang, Bo; Li, Shaohong L.; Truhlar, Donald G.

2014-10-30

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Badermore » charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. Here, we conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.« less

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.

PubMed

Wang, Bo; Li, Shaohong L; Truhlar, Donald G

2014-12-09

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Bader charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. We conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.

Atomic Resolution Structural and Chemical Imaging Revealing the Sequential Migration of Ni, Co, and Mn upon the Battery Cycling of Layered Cathode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Pengfei; Zheng, Jianming; Zhang, Ji-Guang

Layered lithium transition metal oxides (LTMO) are promising candidate cathode materials for next generation high energy density lithium ion battery. The challenge for using this category of cathode is the capacity and voltage fading, which is believed to be associated with the layered structure disordering, a process that is initiated from the surface or solid-electrolyte interface and facilitated by transition metal (TM) reduction and oxygen vacancy formation. However, the atomic level dynamic mechanism of such a layered structure disordering is still not fully clear. In this work, utilizing atomic resolution electron energy loss spectroscopy (EELS), we map, for the firstmore » time at atomic scale, the spatial evolution of Ni, Co and Mn in a cycled LiNi1/3M1/3Co1/3O2 layered cathode. In combination with atomic level structural imaging, we discovered the direct correlation of TM ions migration behavior with lattice disordering, featuring the residing of TM ions in the tetrahedral site and a sequential migration of Ni, Co, and Mn upon the increased lattice disordering of the layered structure. This work highlights that Ni ions, though acting as the dominant redox species in many LTMO, are labile to migrate to cause lattice disordering upon battery cycling; while the Mn ions are more stable as compared with Ni and Co and can act as pillar to stabilize layered structure. Direct visualization of the behavior of TM ions during the battery cycling provides insight for designing of cathode with structural stability and correspondingly a superior performance.« less

Fermion masses through four-fermion condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ayyar, Venkitesh; Chandrasekharan, Shailesh

Fermion masses can be generated through four-fermion condensates when symmetries prevent fermion bilinear condensates from forming. This less explored mechanism of fermion mass generation is responsible for making four reduced staggered lattice fermions massive at strong couplings in a lattice model with a local four-fermion coupling. The model has a massless fermion phase at weak couplings and a massive fermion phase at strong couplings. In particular there is no spontaneous symmetry breaking of any lattice symmetries in both these phases. Recently it was discovered that in three space-time dimensions there is a direct second order phase transition between the twomore » phases. Here we study the same model in four space-time dimensions and find results consistent with the existence of a narrow intermediate phase with fermion bilinear condensates, that separates the two asymptotic phases by continuous phase transitions.« less

Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling.

PubMed

Kosicki, Maciej Bartosz; Kędziera, Dariusz; Żuchowski, Piotr Szymon

2017-06-01

We investigate the energetics of the atom exchange reaction in the SrF + alkali-metal atom and CaF + alkali-metal atom systems. Such reactions are possible only for collisions of SrF and CaF with the lithium atoms, while they are energetically forbidden for other alkali-metal atoms. Specifically, we focus on SrF interacting with Li, Rb, and Sr atoms and use ab initio methods to demonstrate that the SrF + Li and SrF + Sr reactions are barrierless. We present potential energy surfaces for the interaction of the SrF molecule with the Li, Rb, and Sr atoms in their energetically lowest-lying electronic spin states. The obtained potential energy surfaces are deep and exhibit profound interaction anisotropies. We predict that the collisions of SrF molecules in the rotational or Zeeman excited states most likely have a strong inelastic character. We discuss the prospects for the sympathetic cooling of SrF and CaF molecules using ultracold alkali-metal atoms.

Lithium metal protected by atomic layer deposition metal oxide for high performance anodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Lin; Connell, Justin G.; Nie, Anmin

We present that lithium metal is a highly desirable anode material for lithium batteries due to its extremely high theoretical capacity (3860 mA h g -1), low potential (-3.04 V versus standard hydrogen electrode), and low density (0.534 g cm -3). However, dendrite growth during cycling and low coulombic efficiency, resulting in safety hazards and fast battery fading, are huge barriers to commercialization. Herein, we used atomic layer deposition (ALD) to prepare conformal, ultrathin aluminum oxide coatings on lithium. We investigated the growth mechanism during Al 2O 3 ALD on lithium by in situ quartz crystal microbalance and found largermore » growth than expected during the initial cycles. We also discovered that the ALD Al 2O 3 enhances the wettability of the Li surface towards both carbonate and ether electrolytes, leading to uniform and dense SEI formation and reduced electrolyte consumption during battery operation. Scanning electron microscopy verified that the bare Li surfaces become rough and dendritic after electrochemical cycling, whereas the ALD Al 2O 3 coated Li surfaces remain smooth and uniform. Analysis of the Li surfaces after cycling using X-ray photoelectron spectroscopy and in situ transmission electron microscopy revealed that the ALD Al 2O 3 coating remains intact during electrochemical cycling, and that Li ions diffuse through the coating and deposit on the underlying Li. Coin cell testing demonstrated more than two times longer cycling life for the ALD Al 2O 3 protected Li, and a coulombic efficiency as high as ~98% at a practical current rate of 1 mA cm -2. More significantly, when the electrolyte volume was reduced from 20 to 5 μL, the stabilizing effect of the ALD coating became even more pronounced and the cycling life was around four times longer. Finally, these results indicate that ALD Al 2O 3 coatings are a promising strategy to stabilize Li anodes for high performance energy storage devices such as Li–S batteries.« less

Lithium metal protected by atomic layer deposition metal oxide for high performance anodes

DOE PAGES

Chen, Lin; Connell, Justin G.; Nie, Anmin; ...

2017-05-26

We present that lithium metal is a highly desirable anode material for lithium batteries due to its extremely high theoretical capacity (3860 mA h g -1), low potential (-3.04 V versus standard hydrogen electrode), and low density (0.534 g cm -3). However, dendrite growth during cycling and low coulombic efficiency, resulting in safety hazards and fast battery fading, are huge barriers to commercialization. Herein, we used atomic layer deposition (ALD) to prepare conformal, ultrathin aluminum oxide coatings on lithium. We investigated the growth mechanism during Al 2O 3 ALD on lithium by in situ quartz crystal microbalance and found largermore » growth than expected during the initial cycles. We also discovered that the ALD Al 2O 3 enhances the wettability of the Li surface towards both carbonate and ether electrolytes, leading to uniform and dense SEI formation and reduced electrolyte consumption during battery operation. Scanning electron microscopy verified that the bare Li surfaces become rough and dendritic after electrochemical cycling, whereas the ALD Al 2O 3 coated Li surfaces remain smooth and uniform. Analysis of the Li surfaces after cycling using X-ray photoelectron spectroscopy and in situ transmission electron microscopy revealed that the ALD Al 2O 3 coating remains intact during electrochemical cycling, and that Li ions diffuse through the coating and deposit on the underlying Li. Coin cell testing demonstrated more than two times longer cycling life for the ALD Al 2O 3 protected Li, and a coulombic efficiency as high as ~98% at a practical current rate of 1 mA cm -2. More significantly, when the electrolyte volume was reduced from 20 to 5 μL, the stabilizing effect of the ALD coating became even more pronounced and the cycling life was around four times longer. Finally, these results indicate that ALD Al 2O 3 coatings are a promising strategy to stabilize Li anodes for high performance energy storage devices such as Li–S batteries.« less

Fluorine and sulfur simultaneously co-doped suspended graphene

NASA Astrophysics Data System (ADS)

Struzzi, C.; Sezen, H.; Amati, M.; Gregoratti, L.; Reckinger, N.; Colomer, J.-F.; Snyders, R.; Bittencourt, C.; Scardamaglia, M.

2017-11-01

Suspended graphene flakes are exposed simultaneously to fluorine and sulfur ions produced by the μ-wave plasma discharge of the SF6 precursor gas. The microscopic and spectroscopic analyses, performed by Raman spectroscopy, scanning electron microscopy and photoelectron spectromicroscopy, show the homogeneity in functionalization yield over the graphene flakes with F and S atoms covalently bonded to the carbon lattice. This promising surface shows potential for several applications ranging from biomolecule immobilization to lithium battery and hydrogen storage devices. The present co-doping process is an optimal strategy to engineer the graphene surface with a concurrent hydrophobic character, thanks to the fluorine atoms, and a high affinity with metal nanoparticles due to the presence of sulfur atoms.

3-D lithium ion microbattery

NASA Astrophysics Data System (ADS)

Yeh, Yuting

The lithium-ion battery has emerged as a common power source for portable consumer electronics since its debut two decades ago. Due to the low atomic weight and high electrochemical activity of lithium chemistry, lithium-ion battery has a higher energy density as compared to other battery systems, such as Ni-Cd, Ni-MH, and lead-acid batteries. As a result, use of lithium-ion batteries enables the size of batteries to be effectively reduced without compromising capacity. More importantly, as battery size is reduced, it enhances the applications of portable electronics, increasing the convenience of use. The 3-D battery architecture described in the dissertation is believed to be a new paradigm for future batteries. The architecture features coupled 3-D electrodes to provide better charge/discharge kinetics and a higher charge capacity per footprint area. The overarching objective of this dissertation is to implement the 3-D architecture using the lithium-ion chemistry. The 3-D lithium-ion batteries are designed to provide high areal energy density without compromising power density. The dissertation is comprised of four interrelated sections. First, a simulation was conducted to identify key battery parameters and to define an ideal three-dimensional cell structure. The second part of the research involved identifying fabrication routes to build the 3-D electrode, which was the key design element in the 3-D paradigm. The third part of the dissertation was to correlate the electrode performance with its geometric features. In particular, the influence of aspect ratio was investigated. Lastly, an electrolyte/separator was designed and fabricated based on the existing 3-D electrode configuration. This enabled 3-D battery to be assembled.

Prediction of another semimetallic silicene allotrope with Dirac fermions

NASA Astrophysics Data System (ADS)

Wu, Haiping; Qian, Yan; Du, Zhengwei; Zhu, Renzhu; Kan, Erjun; Deng, Kaiming

2017-11-01

Materials with Dirac point are so amazing since the charge carriers are massless and have an effective speed of light. However, among the predicted two-dimensional silicon allotropes with Dirac point, no one has been directly proved by experiment. This fact motivates us to search for other two-dimensional silicon allotropes. As a result, another stable single atomic layer thin silicon allotrope is found with the help of CALYPSO code in this work. This silicene allotrope is composed of eight-membered rings linked by Si-Si bonds with buckling formation. The electronic calculation reveals that it behaves as a nodal line semimetal with the linear energy dispersion relation near the Fermi surface. Notably, the ab initio molecular dynamics simulations display that the original atomic configuration can be remained even at an extremely high temperature of 1000 K. Additionally, hydrogenation could induce a semimetal-semiconductor transition in this silicene allotrope. We hope this work can expand the family of single atomic layer thin silicon allotropes with special applications.

Methods, systems, and apparatus for storage, transfer and/or control of information via matter wave dynamics

NASA Technical Reports Server (NTRS)

Vestergaard Hau, Lene (Inventor)

2012-01-01

Methods, systems and apparatus for generating atomic traps, and for storing, controlling and transferring information between first and second spatially separated phase-coherent objects, or using a single phase-coherent object. For plural objects, both phase-coherent objects have a macroscopic occupation of a particular quantum state by identical bosons or identical BCS-paired fermions. The information may be optical information, and the phase-coherent object(s) may be Bose-Einstein condensates, superfluids, or superconductors. The information is stored in the first phase-coherent object at a first storage time and recovered from the second phase-coherent object, or the same first phase-coherent object, at a second revival time. In one example, an integrated silicon wafer-based optical buffer includes an electrolytic atom source to provide the phase-coherent object(s), a nanoscale atomic trap for the phase-coherent object(s), and semiconductor-based optical sources to cool the phase-coherent object(s) and provide coupling fields for storage and transfer of optical information.

Negative muon chemistry: the quantum muon effect and the finite nuclear mass effect.

PubMed

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2014-10-09

The any-particle molecular orbital method at the full configuration interaction level has been employed to study atoms in which one electron has been replaced by a negative muon. In this approach electrons and muons are described as quantum waves. A scheme has been proposed to discriminate nuclear mass and quantum muon effects on chemical properties of muonic and regular atoms. This study reveals that the differences in the ionization potentials of isoelectronic muonic atoms and regular atoms are of the order of millielectronvolts. For the valence ionizations of muonic helium and muonic lithium the nuclear mass effects are more important. On the other hand, for 1s ionizations of muonic atoms heavier than beryllium, the quantum muon effects are more important. In addition, this study presents an assessment of the nuclear mass and quantum muon effects on the barrier of Heμ + H2 reaction.

Isotope-abundance variations and atomic weights of selected elements: 2016 (IUPAC Technical Report)

USGS Publications Warehouse

Coplen, Tyler B.; Shrestha, Yesha

2016-01-01

There are 63 chemical elements that have two or more isotopes that are used to determine their standard atomic weights. The isotopic abundances and atomic weights of these elements can vary in normal materials due to physical and chemical fractionation processes (not due to radioactive decay). These variations are well known for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium), and the standard atomic weight of each of these elements is given by IUPAC as an interval with lower and upper bounds. Graphical plots of selected materials and compounds of each of these elements have been published previously. Herein and at the URL http://dx.doi.org/10.5066/F7GF0RN2, we provide isotopic abundances, isotope-delta values, and atomic weights for each of the upper and lower bounds of these materials and compounds.

The Harsh Destiny of a Planet?

NASA Astrophysics Data System (ADS)

2001-05-01

The VLT Uncovers Traces of Stellar Cannibalism Summary Did the star HD 82943 swallow one of its planets? What may at a first glance look like the recipe for a dramatic science-fiction story is in fact the well-considered conclusion of a serious scientific study, to be published by a group of astronomers in Switzerland and Spain [1] in tomorrow's issue of the international research journal "Nature". Using the very efficient UVES high-resolution spectrograph at the ESO VLT 8.2-m KUEYEN telescope , they have convincingly detected the presence of the rare isotope Lithium-6 ( 6 Li; [2]) in this metal-rich, solar-type dwarf star that is also known to possess a planetary system, cf. ESO Press Release 13/00. Unlike the Lithium-7 ( 7 Li) isotope of this light element, any primordial Lithium-6 would not survive the early evolutionary stages of a metal-rich solar-type star. The Lithium-6 now seen in HD 82943 must therefore have been added later, but from where? The astronomers believe that this observation strongly suggests that the star has at some moment engulfed one of its planets, whose Lithium-6 was then deposited in the star's atmosphere. This surprising discovery represents important observational evidence that planets may fall into their host stars. PR Photo 17/01 : The spectrum of HD 82943 with the Lithium absorption lines . Artist's impression (drawing and video) of the engulfment of a planet. HD 82943 and its planetary system The last few years have seen the discovery of more than 60 new planetary systems. One of the most prolific planet search programmes is being carried out by the Geneva Extra-Solar Planet Search Group , by means of the CORALIE spectrograph at the 1.2-m Leonard Euler Swiss Telescope at the ESO La Silla Observatory (Chile). One of the stars included in this programme is the dwarf star HD 82943 in the constellation Hydra (The Water Snake). It is slightly hotter and larger than the Sun and was recently found to harbour a planetary system with (at least) two giant planets, cf. ESO Press Release 07/01. Like most extra-solar planets ("exoplanets") found to date, the orbits of the objects orbiting HD 82943 are quite unlike those expected from traditional theories of the formation and evolution of such systems [3]. Contrary to the giant planets in the Solar System, those at HD 82943 have rather elongated orbits, and they are unsually close to the central star. Astronomers believe that giant planets must form in comparatively cool environments, as this was the case in the solar system. The existence of systems in which the giant planets are much closer to the central star can only be explained by certain dynamical processes, e.g. significant orbital changes with time ("orbital migration") or the effects of strong gravitational interaction between several planets. These processes can explain the short-period planetary systems found to date, in which planets are very close to the central star, and also the very elongated orbits found in some cases. These theories also predict that it may be the fate of some planets to fall into their host star. The significance of Lithium Unlike most other elements lighter than Iron, the light nuclei of Lithium (both the Lithium-6 and Lithium-7 isotopes [2]), Beryllium and Boron are not produced in significant amounts in the stellar spheres of fire. In fact, Lithium-6 is extremely "fragile", being easily destroyed by proton collisions at a temperature of "only" 1.5 million degrees - by comparison, the fusion of Hydrogen to Helium takes place at about 10 million degrees. In the case of solar-like stars , any Lithium-6 atoms present in a newborn star will be ``burnt'' during the early evolutionary stages. Strong internal motions will thoroughly mix the outer (cooler) and inner (hotter) stellar layers, and Lithium-6 will completely disappear in just a few million years. We would therefore not expect to find any Lithium-6 in a developed solar-type star. However, during the later evolutionary stages the outer layers of a solar-type star remain better "separated" from the hotter central parts. Thus, if some Lithium-6 is now picked up from the outside, it is therefore possible that it will be preserved in the upper, cooler regions for some time, possibly billions of years. Unlike stars, planets never reach temperatures that are high enough to burn their initial content of Lithium-6. Consequently, planets will retain their Lithium-6. So, if a planet happens to fall into a solar-type star like HD 82943, we may then be able to detect this isotope in the stellar spectrum. In the case of "metal-poor" stars - that are less rich in metals than the Sun - the mixing process in the early phase is less efficient and some original Lithium-6 may actually survive. Detection of Lithium-6 in HD 82943 with UVES ESO PR Photo 17/01 ESO PR Photo 17/01 [Preview - JPEG: 370 x 400 pix - 74k] [Normal - JPEG: 740 x 800 pix - 200k] [Hi-Res - JPEG: 2775 x 3000 pix - 1.2Mb] Caption : The spectrum of HD 82943 , showing the region around the Lithium absorption line. The general shape of this spectral line is caused by Lithium-7 atoms in the atmosphere of the star, while the presence of Lithium-6 causes a certain asymmetry. Model computations have been used to calculate the amount of the two Lithium isotopes; the two fully drawn curves correspond to 6 Li/ 7 Li = 0.12 (red) and no Lithium-6 (0.00; blue), respectively. The difference (O-C = Observed - Calculated) is shown below and demonstrates the very good fit for an isotopic ratio of 0.12 (red dots). Technical information about this photo is available below. The possible presence of Lithium-6 in a stellar atmosphere can be checked by means of a detailed analysis of the star's spectrum. For this, the astronomers search for a very small asymmetry in the "stronger" absorption line in the red spectral region that is caused by Lithium-7 atoms in the stellar atmosphere. However, this type of investigation is critically dependent on the availability of very detailed and "clean" spectra (i.e., very high spectral resolution and excellent signal-to-noise ratio). This is a great observational challenge and to date, only about five stars are known to display the signatures of Lithium-6 in their spectra, cf. ESO PR 08/00. In all cases, the measured isotopic abundance ratio is very small, with 6 Li/ 7 Li less than about 0.05. All of these stars are metal-poor and may have retained some of their initial Lithium-6, see above. Until now, no convincing detection of Lithium-6 has ever been made in a metal-rich , solar-type star. The UVES spectrograph at the 8.2-m VLT KUEYEN telescope is perfectly suited for this kind of study. Three high-resolution spectra of HD 82943 were obtained in June 2000 that show a significant asymmetry in the Lithium-7 absorption line, cf. PR Photo 17/01 . After a careful analysis, this asymmetry is confirmed as the spectral signature of Lithium-6 atoms. The observed abundance ratio is 6 Li/ 7 Li = 0.12. This is unusually high when compared to the detections in metal-poor stars and is in fact more compatible with the value of 0.08, observed in solar-system meteorites! HD 82943 has swallowed a planet The astronomers believe they know the answer: " The simplest and most convincing way to explain this observation is that one or more planets, or at least planetary material, have fallen into the star, sometime after it passed through its early evolutionary stage ", says Nuno Santos of the Geneva Observatory. Garik Israelian of Instituto de Astrofísica de Canarias adds: " One may also try to determine the quantity of material needed to explain the observed isotopic ratio of 0.12. Based on the mass estimate of the star HD 82943 and the known Lithium-6 content of meteorites, it appears that the star has swallowed the equivalent of a giant planet with twice the mass of Jupiter" . If the unlucky planet were of the terrestrial type, in which the relative Lithium-6 content is higher, it would have had a mass of about three times the mass of the Earth. The observational search for Lithium-6 in other stars with planetary systems now continues. In due time, it will permit to better understand the formation and evolution of the newly discovered exoplanets. In particular, it will demonstrate whether the fall of planets into their host stars is a common process or not. More information Further detailed information is available in the research article ("Evidence for planet engulfment by the star HD 82943", by G. Israelian, N.C. Santos, M. Mayor and R. Rebolo), published in the May 10, 2001, issue of the international research journal Nature. Notes [1] The team consists of Garik Israelian and Rafael Rebolo (Instituto de Astrofísica de Canarias, Spain), Nuno C. Santos and Michel Mayor (Geneva Observatory, Switzerland). [2] The nuclei of Lithium-6 ( 6 Li) atoms consist of three protons and three neutrons; those of Lithium-7 ( 7 Li) have three protons and four neutrons. Both isotopes were produced during the Big Bang and in spallation reactions in the interstellar medium. [3] According to the "traditional" view, giant planets like Jupiter would be formed by rapidly accelerating ("runaway") accretion of gas around an initial, icy "planetesimal" with a mass of about 10 Earth masses. An associated prediction was that giant planets would only be found at a distance of at least 750 million kilometres (5 Astronomical Units; or five times the distance between the Earth and the Sun) from their host stars and that their orbits would be circular, like the orbits of the planets in the Solar System. Technical information about the photo PR Photo 17/01 shows the spectrum of the V = 6.5 mag star HD 82943 , as obtained on June 7, 2000, with the UVES spectrograph at the 8.2-m VLT KUEYEN telescope. It is based on three exposures made with Image Slicer 3 in Director's Discretionary Time in Service Mode, and each lasting 120 sec. The spectral resolution is 110,000 and the final S/N-ratio is about 500.

Ultracold fermions in a one-dimensional bipartite optical lattice: Metal-insulator transitions driven by shaking

NASA Astrophysics Data System (ADS)

Di Liberto, M.; Malpetti, D.; Japaridze, G. I.; Morais Smith, C.

2014-08-01

We theoretically investigate the behavior of a system of fermionic atoms loaded in a bipartite one-dimensional optical lattice that is under the action of an external time-periodic driving force. By using Floquet theory, an effective model is derived. The bare hopping coefficients are renormalized by zeroth-order Bessel functions of the first kind with different arguments for the nearest-neighbor and next-nearest-neighbor hopping. The insulating behavior characterizing the system at half filling in the absence of driving is dynamically suppressed, and for particular values of the driving parameter the system becomes either a standard metal or an unconventional metal with four Fermi points. The existence of the four-Fermi-point metal relies on the fact that, as a consequence of the shaking procedure, the next-nearest-neighbor hopping coefficients become significant compared to the nearest-neighbor ones. We use the bosonization technique to investigate the effect of on-site Hubbard interactions on the four-Fermi-point metal-insulator phase transition. Attractive interactions are expected to enlarge the regime of parameters where the unconventional metallic phase arises, whereas repulsive interactions reduce it. This metallic phase is known to be a Luther-Emery liquid (spin-gapped metal) for both repulsive and attractive interactions, contrary to the usual Hubbard model, which exhibits a Mott-insulator phase for repulsive interactions. Ultracold fermions in driven one-dimensional bipartite optical lattices provide an interesting platform for the realization of this long-studied four-Fermi-point unconventional metal.

Electron backscatter diffraction applied to lithium sheets prepared by broad ion beam milling.

PubMed

Brodusch, Nicolas; Zaghib, Karim; Gauvin, Raynald

2015-01-01

Due to its very low hardness and atomic number, pure lithium cannot be prepared by conventional methods prior to scanning electron microscopy analysis. Here, we report on the characterization of pure lithium metallic sheets used as base electrodes in the lithium-ion battery technology using electron backscatter diffraction (EBSD) and X-ray microanalysis using energy dispersive spectroscopy (EDS) after the sheet surface was polished by broad argon ion milling (IM). No grinding and polishing were necessary to achieve the sufficiently damage free necessary for surface analysis. Based on EDS results the impurities could be characterized and EBSD revealed the microsctructure and microtexture of this material with accuracy. The beam damage and oxidation/hydration resulting from the intensive use of IM and the transfer of the sample into the microscope chamber was estimated to be <50 nm. Despite the fact that the IM process generates an increase of temperature at the specimen surface, it was assumed that the milling parameters were sufficient to minimize the heating effect on the surface temperature. However, a cryo-stage should be used if available during milling to guaranty a heating artefact free surface after the milling process. © 2014 Wiley Periodicals, Inc.

Multiple neutral alkali halide attachments onto oligosaccharides in electrospray ionization mass spectrometry

NASA Astrophysics Data System (ADS)

Striegel, André M.; Timpa, Judy D.; Piotrowiak, Piotr; Cole, Richard B.

1997-03-01

Oligosaccharides perform essential functions in a variety of biological and agricultural processes. Recent approaches to characterization of these molecules by mass spectrometry have utilized mainly soft-ionization methods such as electrospray ionization (ESI) and thermospray (TS), as well as fast atom bombardment (FAB). The behavior of a series of maltooligosaccharides with [alpha]-(1 --> 4) linkages, maltose (G2) through maltoheptaose (G7), under ESI conditions, has been investigated here. The oligosaccharides were dissolved in N,N-dimethylacetamide containing lithium chloride (DMAc/LiCl) prior to analysis by ESI-MS. A highly unusual feature, evident in all mass spectra obtained using this solvent system, was the presence of multiple [`]neutral' salt attachments onto lithium adducts of the sugars. Resultant ions took the form of [Gx + Li + nLiCl+, where n may reach a value as high as eight. Compared to LiCl, the propensity for alkali halide attachment using other alkali chlorides or lithium halides was greatly reduced. An investigation of this phenomenon is presented in which the organic and inorganic portions of the employed solvent were systematically varied, and semi-empirical computer modeling was performed to better understand lithium coordination by the sugars.

Systematic study on the discharge product of Pt-based lithium oxygen batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Feng; Xing, Yi; Bi, Xuanxuan

Lithium oxygen batteries have attracted much attention due to the high theoretical energy density. However, they suffer a large overpotential during oxygen evolution process and thus catalysts play a vital role in the reaction. Here, we systematically explored the influence of Pt-based nanoparticle catalysts on the discharge product Li 2O 2. Because of the superior electrical conductivity and the strong binding with oxygen, Pt-based nanoparticles serve as active sites which are favorable for the growth of toroidal Li 2O 2. We also found that the content and composition of Pt-based nanoparticle catalysts exert a significant influence on the electrochemical performancemore » of lithium oxygen batteries. The discharge products are composed of crystalline Li 2O 2 and oxygen-rich LiO 2 characterized by high-energy X-ray diffraction and Raman. Atomic force microscopy further provides detailed information of the particle size and surface roughness. The loading of Pt catalysts determines the phase and size of Li 2O 2 on the discharged electrode surface. This study will be beneficial for the optimization of Pt-based catalysts used in non-aqueous lithium oxygen batteries.« less

Systematic study on the discharge product of Pt-based lithium oxygen batteries

NASA Astrophysics Data System (ADS)

Wu, Feng; Xing, Yi; Bi, Xuanxuan; Yuan, Yifei; Wang, Hsien-Hau; Shahbazian-Yassar, Reza; Li, Li; Chen, Renjie; Lu, Jun; Amine, Khalil

2016-11-01

Lithium oxygen batteries have attracted much attention due to the high theoretical energy density. However, they suffer a large overpotential during oxygen evolution process and thus catalysts play a vital role in the reaction. Here, we systematically explored the influence of Pt-based nanoparticle catalysts on the discharge product Li2O2. Because of the superior electrical conductivity and the strong binding with oxygen, Pt-based nanoparticles serve as active sites which are favorable for the growth of toroidal Li2O2. We also found that the content and composition of Pt-based nanoparticle catalysts exert a significant influence on the electrochemical performance of lithium oxygen batteries. The discharge products are composed of crystalline Li2O2 and oxygen-rich LiO2 characterized by high-energy X-ray diffraction and Raman. Atomic force microscopy further provides detailed information of the particle size and surface roughness. The loading of Pt catalysts determines the phase and size of Li2O2 on the discharged electrode surface. This study will be beneficial for the optimization of Pt-based catalysts used in non-aqueous lithium oxygen batteries.

Few Atomic Layered Lithium Cathode Materials to Achieve Ultrahigh Rate Capability in Lithium-Ion Batteries.

PubMed

Tai, Zhixin; Subramaniyam, Chandrasekar M; Chou, Shu-Lei; Chen, Lingna; Liu, Hua-Kun; Dou, Shi-Xue

2017-09-01

The most promising cathode materials, including LiCoO 2 (layered), LiMn 2 O 4 (spinel), and LiFePO 4 (olivine), have been the focus of intense research to develop rechargeable lithium-ion batteries (LIBs) for portable electronic devices. Sluggish lithium diffusion, however, and unsatisfactory long-term cycling performance still limit the development of present LIBs for several applications, such as plug-in/hybrid electric vehicles. Motivated by the success of graphene and novel 2D materials with unique physical and chemical properties, herein, a simple shear-assisted mechanical exfoliation method to synthesize few-layered nanosheets of LiCoO 2 , LiMn 2 O 4 , and LiFePO 4 is used. Importantly, these as-prepared nanosheets with preferred orientations and optimized stable structures exhibit excellent C-rate capability and long-term cycling performance with much reduced volume expansion during cycling. In particular, the zero-strain insertion phenomenon could be achieved in 2-3 such layers of LiCoO 2 electrode materials, which could open up a new way to the further development of next-generation long-life and high-rate batteries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

PubMed Central

Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, Bernardo; Orikasa, Yuki; Callewaert, Vincent; Kaprzyk, Staszek; Itou, Masayoshi; Yamamoto, Kentaro; Yamada, Ryota; Uchimoto, Yoshiharu; Sakurai, Yoshiharu; Sakurai, Hiroshi; Bansil, Arun

2017-01-01

Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials. PMID:28845452

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering.

PubMed

Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, Bernardo; Orikasa, Yuki; Callewaert, Vincent; Kaprzyk, Staszek; Itou, Masayoshi; Yamamoto, Kentaro; Yamada, Ryota; Uchimoto, Yoshiharu; Sakurai, Yoshiharu; Sakurai, Hiroshi; Bansil, Arun

2017-08-01

Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO 4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.

Neutron scattering study on cathode LiMn2O4 and solid electrolyte 5(Li2O)(P2O5)

NASA Astrophysics Data System (ADS)

Kartini, E.; Putra, Teguh P.; Jahya, A. K.; Insani, A.; Adams, S.

2014-09-01

Neutron scattering is very important technique in order to investigate the energy storage materials such as lithium-ion battery. The unique advantages, neutron can see the light atoms such as Hydrogen, Lithium, and Oxygen, where those elements are negligible by other corresponding X-ray method. On the other hand, the energy storage materials, such as lithium ion battery is very important for the application in the electric vehicles, electronic devices or home appliances. The battery contains electrodes (anode and cathode), and the electrolyte materials. There are many challenging to improve the existing lithium ion battery materials, in order to increase their life time, cyclic ability and also its stability. One of the most scientific challenging is to investigate the crystal structure of both electrode and electrolyte, such as cathodes LiCoO2, LiMn2O4 and LiFePO4, and solid electrolyte Li3PO4. Since all those battery materials contain Lithium ions and Oxygen, the used of neutron scattering techniques to study their structure and related properties are very important and indispensable. This article will review some works of investigating electrodes and electrolytes, LiMn2O4 and 5(Li2O)(P2O5), by using a high resolution powder diffraction (HRPD) at the multipurpose research reactor, RSG-Sywabessy of the National Nuclear Energy Agency (BATAN), Indonesia.

The BCS-BEC Crossover

NASA Astrophysics Data System (ADS)

Parish, Meera M.

2015-09-01

This chapter presents the crossover from the Bardeen-Cooper-Schrieffer (BCS) state of weakly correlated pairs of fermions to the Bose-Einstein condensation (BEC) of diatomic molecules in the atomic Fermi gas. Our aim is to provide a pedagogical review of the BCS-BEC crossover, with an emphasis on the basic concepts, particularly those that are not generally known or are difficult to find in the literature. We shall not attempt to give an exhaustive survey of current research in the limited space here; where possible, we will direct the reader to more extensive reviews.

Experimental reconstruction of the Berry curvature in a topological Bloch band

NASA Astrophysics Data System (ADS)

Weitenberg, Christof; Flaeschner, Nick; Rem, Benno; Tarnowski, Matthias; Vogel, Dominik; Luehmann, Dirk-Soeren; Sengstock, Klaus

2016-05-01

Topological properties lie at the heart of many fascinating phenomena in solid state systems such as quantum Hall systems or Chern insulators. The topology can be captured by the distribution of Berry curvature, which describes the geometry of the eigenstates across the Brillouin zone. Employing fermionic ultracold atoms in a hexagonal optical lattice, we engineer the Berry curvature of the Bloch bands using resonant driving and measure it with full momentum resolution. Our results pave the way to explore intriguing phases of matter with interactions in topological band structures.

Electronic Structure Calculations of Hydrogen Storage in Lithium-Decorated Metal-Graphyne Framework.

PubMed

Kumar, Sandeep; Dhilip Kumar, Thogluva Janardhanan

2017-08-30

Porous metal-graphyne framework (MGF) made up of graphyne linker decorated with lithium has been investigated for hydrogen storage. Applying density functional theory spin-polarized generalized gradient approximation with the Perdew-Burke-Ernzerhof functional containing Grimme's diffusion parameter with double numeric polarization basis set, the structural stability, and physicochemical properties have been analyzed. Each linker binds two Li atoms over the surface of the graphyne linker forming MGF-Li 8 by Dewar coordination. On saturation with hydrogen, each Li atom physisorbs three H 2 molecules resulting in MGF-Li 8 -H 24 . H 2 and Li interact by charge polarization mechanism leading to elongation in average H-H bond length indicating physisorption. Sorption energy decreases gradually from ≈0.4 to 0.20 eV on H 2 loading. Molecular dynamics simulations and computed sorption energy range indicate the high reversibility of H 2 in the MGF-Li 8 framework with the hydrogen storage capacity of 6.4 wt %. The calculated thermodynamic practical hydrogen storage at room temperature makes the Li-decorated MGF system a promising hydrogen storage material.

Structure of LiPs ground and excited states

NASA Astrophysics Data System (ADS)

Bressanini, Dario

2018-01-01

The lithium atom in its ground state can bind positronium (Ps) forming LiPs, an electronically stable system. In this study we use the fixed node diffusion Monte Carlo method to perform a detailed investigation of the internal structure of LiPs, establishing to what extent it could be described by smaller interacting subsystems. To study the internal structure of positronic systems we propose a way to analyze the particle distribution functions: We first order the particle-nucleus distances, from the closest to the farthest. We then bin the ordered distances obtaining, for LiPs, five distribution functions that we call sorted distribution functions. We used them to show that Ps is a quite well-defined entity inside LiPs: The positron is forming positronium not only when it is far away from the nucleus, but also when it is in the same region of space occupied by the 2 s electrons. Hence, it is not correct to describe LiPs as positronium "orbiting" around a lithium atom, as sometimes has been done, since the positron penetrates the electronic distribution and can be found close to the nucleus.

Probing the interatomic potential of solids with strong-field nonlinear phononics

NASA Astrophysics Data System (ADS)

von Hoegen, A.; Mankowsky, R.; Fechner, M.; Först, M.; Cavalleri, A.

2018-03-01

Nonlinear optical techniques at visible frequencies have long been applied to condensed matter spectroscopy. However, because many important excitations of solids are found at low energies, much can be gained from the extension of nonlinear optics to mid-infrared and terahertz frequencies. For example, the nonlinear excitation of lattice vibrations has enabled the dynamic control of material functions. So far it has only been possible to exploit second-order phonon nonlinearities at terahertz field strengths near one million volts per centimetre. Here we achieve an order-of-magnitude increase in field strength and explore higher-order phonon nonlinearities. We excite up to five harmonics of the A1 (transverse optical) phonon mode in the ferroelectric material lithium niobate. By using ultrashort mid-infrared laser pulses to drive the atoms far from their equilibrium positions, and measuring the large-amplitude atomic trajectories, we can sample the interatomic potential of lithium niobate, providing a benchmark for ab initio calculations for the material. Tomography of the energy surface by high-order nonlinear phononics could benefit many aspects of materials research, including the study of classical and quantum phase transitions.

In situ catalytic growth of large-area multilayered graphene/MoS2 heterostructures.

PubMed

Fu, Wei; Du, Fei-Hu; Su, Juan; Li, Xin-Hao; Wei, Xiao; Ye, Tian-Nan; Wang, Kai-Xue; Chen, Jie-Sheng

2014-04-14

Stacking various two-dimensional atomic crystals on top of each other is a feasible approach to create unique multilayered heterostructures with desired properties. Herein for the first time, we present a controlled preparation of large-area graphene/MoS2 heterostructures via a simple heating procedure on Mo-oleate complex coated sodium sulfate under N2 atmosphere. Through a direct in situ catalytic reaction, graphene layer has been uniformly grown on the MoS2 film formed by the reaction of Mo species with Species, which is from the carbothermal reduction of sodium sulfate. Due to the excellent graphene "painting" on MoS2 atomic layers, the significantly shortened lithium ion diffusion distance and the markedly enhanced electronic conductivity, these multilayered graphene/MoS2 heterostructures exhibit high specific capacity, unprecedented rate performance and outstanding cycling stability, especially at a high current density, when used as an anode material for lithium batteries. This work provides a simple but efficient route for the controlled fabrication of large-area multilayered graphene/metal sulfide heterostructures with promising applications in battery manufacture, electronics or catalysis.

In situ catalytic growth of large-area multilayered graphene/MoS2 heterostructures

PubMed Central

Fu, Wei; Du, Fei-Hu; Su, Juan; Li, Xin-Hao; Wei, Xiao; Ye, Tian-Nan; Wang, Kai-Xue; Chen, Jie-Sheng

2014-01-01

Stacking various two-dimensional atomic crystals on top of each other is a feasible approach to create unique multilayered heterostructures with desired properties. Herein for the first time, we present a controlled preparation of large-area graphene/MoS2 heterostructures via a simple heating procedure on Mo-oleate complex coated sodium sulfate under N2 atmosphere. Through a direct in situ catalytic reaction, graphene layer has been uniformly grown on the MoS2 film formed by the reaction of Mo species with S pecies, which is from the carbothermal reduction of sodium sulfate. Due to the excellent graphene “painting” on MoS2 atomic layers, the significantly shortened lithium ion diffusion distance and the markedly enhanced electronic conductivity, these multilayered graphene/MoS2 heterostructures exhibit high specific capacity, unprecedented rate performance and outstanding cycling stability, especially at a high current density, when used as an anode material for lithium batteries. This work provides a simple but efficient route for the controlled fabrication of large-area multilayered graphene/metal sulfide heterostructures with promising applications in battery manufacture, electronics or catalysis. PMID:24728289

In situ catalytic growth of large-area multilayered graphene/MoS2 heterostructures

NASA Astrophysics Data System (ADS)

Fu, Wei; Du, Fei-Hu; Su, Juan; Li, Xin-Hao; Wei, Xiao; Ye, Tian-Nan; Wang, Kai-Xue; Chen, Jie-Sheng

2014-04-01

Stacking various two-dimensional atomic crystals on top of each other is a feasible approach to create unique multilayered heterostructures with desired properties. Herein for the first time, we present a controlled preparation of large-area graphene/MoS2 heterostructures via a simple heating procedure on Mo-oleate complex coated sodium sulfate under N2 atmosphere. Through a direct in situ catalytic reaction, graphene layer has been uniformly grown on the MoS2 film formed by the reaction of Mo species with S pecies, which is from the carbothermal reduction of sodium sulfate. Due to the excellent graphene ``painting'' on MoS2 atomic layers, the significantly shortened lithium ion diffusion distance and the markedly enhanced electronic conductivity, these multilayered graphene/MoS2 heterostructures exhibit high specific capacity, unprecedented rate performance and outstanding cycling stability, especially at a high current density, when used as an anode material for lithium batteries. This work provides a simple but efficient route for the controlled fabrication of large-area multilayered graphene/metal sulfide heterostructures with promising applications in battery manufacture, electronics or catalysis.

Mixed conduction and grain boundary effect in lithium niobate under high pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Qinglin; Center for High Pressure Science and Technology Advanced Research, Changchun 130012; Liu, Cailong

2015-03-30

The charge transport behavior of lithium niobate has been investigated by in situ impedance measurement up to 40.6 GPa. The Li{sup +} ionic conduction plays a dominant role in the transport process. The relaxation process is described by the Maxwell-Wagner relaxation arising at the interfaces between grains and grain boundaries. The grain boundary microstructure rearranges after the phase transition, which improves the bulk dielectric performance. The theoretical calculations show that the decrease of bulk permittivity with increasing pressure in the Pnma phase is caused by the pressure-induced enhancement of electron localization around O atoms, which limits the polarization of Nb-O electricmore » dipoles.« less

Low temperatures shear viscosity of a two-component dipolar Fermi gas with unequal population

NASA Astrophysics Data System (ADS)

Darsheshdar, E.; Yavari, H.; Zangeneh, Z.

2016-07-01

By using the Green's functions method and linear response theory we calculate the shear viscosity of a two-component dipolar Fermi gas with population imbalance (spin polarized) in the low temperatures limit. In the strong-coupling Bose-Einstein condensation (BEC) region where a Feshbach resonance gives rise to tightly bound dimer molecules, a spin-polarized Fermi superfluid reduces to a simple Bose-Fermi mixture of Bose-condensed dimers and the leftover unpaired fermions (atoms). The interactions between dimer-atom, dimer-dimer, and atom-atom take into account to the viscous relaxation time (τη) . By evaluating the self-energies in the ladder approximation we determine the relaxation times due to dimer-atom (τDA) , dimer-dimer (τcDD ,τdDD) , and atom-atom (τAA) interactions. We will show that relaxation rates due to these interactions τDA-1 ,τcDD-1, τdDD-1, and τAA-1 have T2, T4, e - E /kB T (E is the spectrum of the dimer atoms), and T 3 / 2 behavior respectively in the low temperature limit (T → 0) and consequently, the atom-atom interaction plays the dominant role in the shear viscosity in this rang of temperatures. For small polarization (τDA ,τAA ≫τcDD ,τdDD), the low temperatures shear viscosity is determined by contact interaction between dimers and the shear viscosity varies as T-5 which has the same behavior as the viscosity of other superfluid systems such as superfluid neutron stars, and liquid helium.

Synthesis and electrochemical characterization of Silicon clathrates as anode materials for Lithium ion batteries

NASA Astrophysics Data System (ADS)

Raghavan, Rahul

Novel materials for Li-ion batteries is one of the principle thrust areas for current research in energy storage, more so than most, considering its widespread use in portable electronic gadgets and plug-in electric and hybrid cars. One of the major limiting factors in a Li-ion battery's energy density is the low specific capacities of the active materials in the electrodes. In the search for high-performance anode materials for Li-ion batteries, many alternatives to carbonaceous materials have been studied. Both cubic and amorphous silicon can reversibly alloy with lithium and have a theoretical capacity of 3500 mAh/g, making silicon a potential high density anode material. However, a large volume expansion of 300% occurs due to changes in the structure during lithium insertion, often leading to pulverization of the silicon. To this end, a class of silicon based cage compounds called clathrates are studied for electrochemical reactivity with lithium. Silicon-clathrates consist of silicon covalently bonded in cage structures comprised of face sharing Si20, Si24 and/or Si28 clusters with guest ions occupying the interstitial positions in the polyhedra. Prior to this, silicon clathrates have been studied primarily for their superconducting and thermoelectric properties. In this work, the synthesis and electrochemical characterization of two categories of silicon clathrates - Type-I silicon clathrate with aluminum framework substitution and barium guest ions (Ba8AlxSi46-x) and Type-II silicon clathrate with sodium guest ions (Nax Si136), are explored. The Type-I clathrate, Ba8AlxSi46-x consists of an open framework of aluminium and silicon, with barium (guest) atoms occupying the interstitial positions. X-ray diffraction studies have shown that a crystalline phase of clathrate is obtained from synthesis, which is powdered to a fine particle size to be used as the anode material in a Li-ion battery. Electrochemical measurements of these type of clathrates have shown that capacities comparable to graphite can be obtained for up to 10 cycles and lower capacities can be obtained for up to 20 cycles. Unlike bulk silicon, the clathrate structure does not undergo excessive volume change upon lithium intercalation, and therefore, the crystal structure is morphologically stable over many cycles. X-ray diffraction of the clathrate after cycling showed that crystallinity is intact, indicating that the clathrate does not collapse during reversible intercalation with lithium ions. Electrochemical potential spectroscopy obtained from the cycling data showed that there is an absence of formation of lithium-silicide, which is the product of lithium alloying with diamond cubic silicon. Type II silicon clathrate, NaxSi136, consists of silicon making up the framework structure and sodium (guest) atoms occupying the interstitial spaces. These clathrates showed very high capacities during their first intercalation cycle, in the range of 3,500 mAh/g, but then deteriorated during subsequent cycles. X-ray diffraction after one cycle showed the absence of clathrate phase and the presence of lithium-silicide, indicating the disintegration of clathrate structure. This could explain the silicon-like cycling behavior of Type II clathrates.

Luminescence from edge fracture in shocked lithium fluoride crystals

DOE PAGES

Turley, W. D.; Stevens, G. D.; Capelle, G. A.; ...

2013-04-03

Light emitted from a [100] lithium fluoride crystal was characterized under shock wave compression to 28 GPa followed by complete stress release at the edges. We examined the light using time-gated optical spectrometry and imaging, time-resolved optical emission measurements, and hydrodynamic modeling. The shock arrival at the circumference of the crystal was delayed relative to the center so that the two regions could be studied at different times. The majority of the light emission originated when the shock waves released at the circumference of the crystal. Unlike previously reported results for shocked lithium fluoride, we found that the light spectrummore » is not strictly broad band, but has spectral lines associated with atomic lithium in addition to a broad band background. Also, the emission spectrum depends strongly on the gas surrounding the sample. Based on our observations, the line emission appears to be related to fracture of the lithium fluoride crystal from the shock wave releasing at the edges. Moreover, experimenters frequently utilize lithium fluoride crystals as transparent windows for observing shock compressed samples. Because of the experimental geometries used, the shock wave in such cases often reaches the circumference of the window at nearly the same moment as when it reaches the center of the sample-window interface. Light generated at the circumference could contaminate the measurement at the interface when this light scatters into the observed region. Finally, this background light may be reduced or avoided using experimental geometries which delay the arrival of the shock wave at the edges of the crystal.« less

Energy Levels and Spectral Lines of Li Atoms in White Dwarf Strength Magnetic Fields

NASA Astrophysics Data System (ADS)

Zhao, L. B.

2018-04-01

A theoretical approach based on B-splines has been developed to calculate atomic structures and discrete spectra of Li atoms in a strong magnetic field typical of magnetic white dwarf stars. Energy levels are presented for 20 electronic states with the symmetries 20+, 20‑, 2(‑1)+, 2(‑1)‑, and 2(‑2)+. The magnetic field strengths involved range from 0 to 2350 MG. The wavelengths and oscillator strengths for the electric dipole transitions relevant to these magnetized atomic states are reported. The current results are compared to the limited theoretical data in the literature. A good agreement has been found for the lower energy levels, but a significant discrepancy is clearly visible for the higher energy levels. The existing discrepancies of the wavelengths and oscillator strengths are also discussed. Our investigation shows that the spectrum data of magnetized Li atoms previously published are obviously far from meeting requirements of analyzing discrete atomic spectra of magnetic white dwarfs with lithium atmospheres.

Lithium-decorated oxidized graphyne for hydrogen storage by first principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Zeyu; Wang, Lang; Cheng, Julong

2014-11-07

The geometric stability and hydrogen storage capacity of Li decorated oxidized γ-graphyne are studied based on the first-principles calculations. It is found that oxygen atoms trend to bond with acetylenic carbons and form C=O double bonds on both sides of graphyne. The binding energy of single Li atom on oxidized graphyne is 3.29 eV, owning to the strong interaction between Li atom and O atom. Meanwhile, the dispersion of Li is stable even under a relatively high density. One attached Li atom can at least adsorb six hydrogen molecules around. Benefitting from the porous structure of graphyne and the high attachedmore » Li density, a maximum hydrogen storage density 12.03 wt. % is achieved with four Li atoms in graphyne cell. The corresponding average binding energy is 0.24 eV/H{sub 2}, which is suitable for reversible storage. These results indicate that Li decorated graphyne can serve as a promising hydrogen storage material.« less

Non-universal bound states of two identical heavy fermions and one light particle

NASA Astrophysics Data System (ADS)

Safavi, Arghavan; Rittenhouse, Seth; Blume, Dorte; Sadeghpour, Hossein

2013-05-01

We study a system of two identical heavy fermions of mass M and light particle of mass m. The interspecies interaction is modeled using a short-range two-body potential with positive s-wave scattering length. We impose a short-range boundary condition on the logarithmic derivative of the hyperradial wavefunction and show that, in the regime where Efimov states are absent, a non-universal three-body state ``cuts through'' the universal three-body states previously described by Kartavtsev and Malykh [O. I. Kartavtsev and A. V. Malykh, J. Phys. B 40, 1429 (2007)]. We study the effect of the non-universal state on the behavior of the universal states and use a simple quantum defect theory, utilizing hyperspherical coordinates, to explain the existence of the non-universal state. An empirical two-state model is employed to quantify the coupling of the non-universal state to the universal states. This work was supported by NSF through a grant for the Institute for Theoretical Atomic, Molecular and Optical Physics at Harvard University and Smithsonian Astrophysical Observatory and through grant PHY-1205443.

Veselago focusing of anisotropic massless Dirac fermions

NASA Astrophysics Data System (ADS)

Zhang, Shu-Hui; Yang, Wen; Peeters, F. M.

2018-05-01

Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF.

Investigation of a driven fermionic system and detecting chiral edge modes in an optical lattice

NASA Astrophysics Data System (ADS)

Görg, Frederik; Messer, Michael; Jotzu, Gregor; Sandholzer, Kilian; Desbuquois, Rémi; Goldman, Nathan; Esslinger, Tilman

2017-04-01

Periodically driven systems of ultracold fermions in optical lattices allow to implement a large variety of effective Hamiltonians through Floquet engineering. An important question is whether this method can be extended to interacting systems. We investigate driven two-body systems in an array of double wells and measure the double occupancy and the spin-spin correlator in the large frequency limit and when driving resonantly to an energy scale of the underlying static Hamiltonian. We analyze whether the emerging states of the driven system can be adiabatically connected to states in the unshaken lattice. In addition, we measure the amplitude of the micromotion which describes the short time dynamics of the system and compare it directly to theory. In another context we propose a method to create topological interfaces and detect chiral edge modes in a two dimensional optical lattice. We illustrate this through an optical lattice realization of the Haldane model for cold atoms, where an additional spatially-varying lattice potential induces distinct topological phases in separated regions of space.

Chiral anomaly and anomalous finite-size conductivity in graphene

NASA Astrophysics Data System (ADS)

Shen, Shun-Qing; Li, Chang-An; Niu, Qian

2017-09-01

Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two spin degenerate pairs of massless two-dimensional Dirac fermions with different chirality. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of a zigzag nanoribbon and some anomalous transport properties. Here it is proposed that the Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges of Dirac fermions at different valleys can be realized in a confined ribbon of finite width, even in the absence of a magnetic field. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and is inversely proportional to the square of the lateral dimension W, which is different from the finite-size correction inversely proportional to W from the boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and it is measurable experimentally. This finding provides an alternative platform to explore the purely quantum mechanical effect in graphene.

Magnons in a honeycomb ferromagnet

NASA Astrophysics Data System (ADS)

Banerjee, Saikat

The original discovery of the Dirac electron dispersion in graphene led naturally to the question of Dirac cone stability with respect to interactions, and the Coulomb interaction between electrons was shown to induce a logarithmic renormalization of the Dirac dispersion. With the rapid expansion of the list of Dirac fermion compounds, the concept of bosonic Dirac materials has emerged. At the single particle level, these materials closely resemble the fermionic counterparts. However, the changed particle statistics affects the stability of Dirac cones differently. Here we study the effect of interactions focusing on the honeycomb ferromagnet - where the quasi-particles are magnetic spin waves (magnons). We demonstrate that magnon-magnon interactions lead to a significant renormalization of the bare band structure. We also address the question of the edge and surface states for a finite system. We applied these results to ferromagnetic CrBr3, where the Cr3+ atoms are arranged in weakly coupled honeycomb layers. Our theory qualitatively accounts for the unexplained anomalies in neutron scattering data from 40 years ago for CrBr3 and hereby expand the theory of ferromagnets beyond the standard Dyson theory.

Quantum measurement-induced antiferromagnetic order and density modulations in ultracold Fermi gases in optical lattices

NASA Astrophysics Data System (ADS)

Mazzucchi, Gabriel; Caballero-Benitez, Santiago F.; Mekhov, Igor B.

2016-08-01

Ultracold atomic systems offer a unique tool for understanding behavior of matter in the quantum degenerate regime, promising studies of a vast range of phenomena covering many disciplines from condensed matter to quantum information and particle physics. Coupling these systems to quantized light fields opens further possibilities of observing delicate effects typical of quantum optics in the context of strongly correlated systems. Measurement backaction is one of the most funda- mental manifestations of quantum mechanics and it is at the core of many famous quantum optics experiments. Here we show that quantum backaction of weak measurement can be used for tailoring long-range correlations of ultracold fermions, realizing quantum states with spatial modulations of the density and magnetization, thus overcoming usual requirement for a strong interatomic interactions. We propose detection schemes for implementing antiferromagnetic states and density waves. We demonstrate that such long-range correlations cannot be realized with local addressing, and they are a consequence of the competition between global but spatially structured backaction of weak quantum measurement and unitary dynamics of fermions.

Highly nitrogen-doped carbon capsules: scalable preparation and high-performance applications in fuel cells and lithium ion batteries.

PubMed

Hu, Chuangang; Xiao, Ying; Zhao, Yang; Chen, Nan; Zhang, Zhipan; Cao, Minhua; Qu, Liangti

2013-04-07

Highly nitrogen-doped carbon capsules (hN-CCs) have been successfully prepared by using inexpensive melamine and glyoxal as precursors via solvothermal reaction and carbonization. With a great promise for large scale production, the hN-CCs, having large surface area and high-level nitrogen content (N/C atomic ration of ca. 13%), possess superior crossover resistance, selective activity and catalytic stability towards oxygen reduction reaction for fuel cells in alkaline medium. As a new anode material in lithium-ion battery, hN-CCs also exhibit excellent cycle performance and high rate capacity with a reversible capacity of as high as 1046 mA h g(-1) at a current density of 50 mA g(-1) after 50 cycles. These features make the hN-CCs developed in this study promising as suitable substitutes for the expensive noble metal catalysts in the next generation alkaline fuel cells, and as advanced electrode materials in lithium-ion batteries.

Functional group-dependent anchoring effect of titanium carbide-based MXenes for lithium-sulfur batteries: A computational study

NASA Astrophysics Data System (ADS)

Zhao, Yuming; Zhao, Jingxiang

2017-08-01

The large-scale practical application of lithium-sulfur (Li-S) batteries cannot be relized unless the challenge of dissolving of soluble lithium polysulfides (Li2Sn) species in electrolytes can be solved. Herein, by means of density functional theory (DFT) computations, we systematically exploited the anchoring effects of various titanium carbide-based MXenes for Li-S batteries. Our results revealed that, due to the attraction between Li ions in Li2Sn species and O atoms in Ti2CO2 and Ti3C2O2 monolayer, the two Mxenes can strongly interact with Li2Sn species with remarkable but not too strong binding strength to effectively immobilize the soluble polysulfides. Especially, the intactness of the Li2Sn species can be well saved, although the Lisbnd S bonds are weakened. Therefore, Ti2CO2 and Ti3C2O2 monolayers are quite promising anchoring materials with good cycling performances for Li-S batteries.

Deuterium-lithium plasma as a source of fusion neutrons

NASA Astrophysics Data System (ADS)

Chirkov, A. Yu; Vesnin, V. R.

2017-11-01

The concepts of deuterium-tritium (D-T) fusion neutron source are currently developed for hybrid fusion-fission systems and the waste transmutation ones. The need to use tritium technologies is a deterrent factor in this promising direction of energy production. Potential possibilities of using systems that do not require tritium developments are of a significant interest. A deuterium-deuterium (D-D) reaction is considered for the use in demonstration fusion neutron sources. The product of this reaction is tritium, which will burn in the plasma with the emission of fast neutrons. D-D reaction is significantly slower then D-T reaction. Present study shows an increase in neutron yield using a powerful injection of the beam of deuterium atoms. The reactions of the deuterium with lithium isotopes are considered. In some of these reactions, fast neutrons can be obtained. The results of the calculation of the neutron yield from the deuterium lithium plasma are discussed. The estimates of the parameters needed for the realization of a source of fusion neutrons are presented.

Creation of nanosized holes in graphene planes for improvement of rate capability of lithium-ion batteries

NASA Astrophysics Data System (ADS)

Bulusheva, L. G.; Stolyarova, S. G.; Chuvilin, A. L.; Shubin, Yu V.; Asanov, I. P.; Sorokin, A. M.; Mel'gunov, M. S.; Zhang, Su; Dong, Yue; Chen, Xiaohong; Song, Huaihe; Okotrub, A. V.

2018-04-01

Holes with an average size of 2-5 nm have been created in graphene layers by heating of graphite oxide (GO) in concentrated sulfuric acid followed by annealing in an argon flow. The hot mineral acid acts simultaneously as a defunctionalizing and etching agent, removing a part of oxygen-containing groups and lattice carbon atoms from the layers. Annealing of the holey reduced GO at 800 °C-1000 °C causes a decrease of the content of residual oxygen and the interlayer spacing thus producing thin compact stacks from holey graphene layers. Electrochemical tests of the obtained materials in half-cells showed that the removal of oxygen and creation of basal holes lowers the capacity loss in the first cycle and facilitates intercalation-deintercalation of lithium ions. This was attributed to minimization of electrolyte decomposition reactions, easier desolvation of lithium ions near the hole boundaries and appearance of multiple entrances for the naked ions into graphene stacks.

Metallic MoN layer and its application as anode for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Qiaoxuan; Ma, Jiachen; Lei, Ming; Quhe, Ruge

2018-04-01

Recently, two-dimensional (2D) metallic MoN was manufactured successfully in experiment. Its intrinsic properties remain to be explored theoretically, in depth. The intrinsic properties of a MoN monolayer are investigated by first-principles calculations. The distinct geometric properties of the outermost Mo and N surfaces are discovered. We predict an extremely high work function of 6.3 eV of the N surface, which indicates the great value of the 2D MoN for application in the semiconductor industry. We further explore the potential of 2D MoN as anode material for lithium-ion batteries. It is found that the adsorption energy of a single Li atom on an MoN surface can be as low as -4.04 eV. The small diffusion barriers (0.41 eV) and high theoretical maximum capacity (406 mAh · g-1 with the inclusion of multilayer adsorption) all imply an outstanding lithium-ion battery performance by 2D MoN.

X-ray diffraction analysis of LiCu2O2 crystals with additives of silver atoms

NASA Astrophysics Data System (ADS)

Sirotinkin, V. P.; Bush, A. A.; Kamentsev, K. E.; Dau, H. S.; Yakovlev, K. A.; Tishchenko, E. A.

2015-09-01

Silver-containing LiCu2O2 crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1- x)CuO · 20 x AgNO3 · 20Li2CO3 (0 ≤ х ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu2O2 structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter с of the LiCu2O2 rhombic unit cell, a slight increase in parameter а, and a slight decrease in parameter b.

Solitonic excitations in collisions of superfluid nuclei a qualitatively new phenomenon distinct from the Josephson effect

NASA Astrophysics Data System (ADS)

Sekizawa, Kazuyuki; Wlazłowski, Gabriel; Magierski, Piotr

2017-11-01

Recently, we have reported a novel role of pairing in low-energy heavy ion reactions at energies above the Coulomb barrier, which may have a detectable impact on reaction outcomes, such as the kinetic energy of fragments and the fusion cross section [arXiv:1611.10261, arXiv:1702.00069]. The phenomenon mimics the one studied experimentally with ultracold atomic gases, where two clouds of fermionic superfluids with different phases of the pairing fields are forced to merge, inducing various excitation modes of the pairing field. Although it originates from the phase difference of the pairing fields, the physics behind it is markedly different from the so-called Josephson effect. In this short contribution, we will briefly outline the results discussed in our recent papers and explain relations with the field of ultracold atomic gases.

New contributions to physics by Prof. C. N. Yang: 2009-2011

NASA Astrophysics Data System (ADS)

Ma, Zhong-Qi

2016-01-01

In a seminal paper of 1967, Professor Chen Ning Yang found the full solution of the one-dimensional Fermi gas with a repulsive delta function interaction by using the Bethe ansatz and group theory. This work with a brilliant discovery of the Yang-Baxter equation has been inspiring new developments in mathematical physics, statistical physics, and many-body physics. Based on experimental developments in simulating many-body physics of one-dimensional systems of ultracold atoms, during a period from 2009 to 2011, Prof. Yang published seven papers on the exact properties of the ground state of bosonic and fermionic atoms with the repulsive delta function interaction and a confined potential to one dimension. Here I would like to share my experience in doing research work fortunately under the direct supervision of Prof. Yang in that period.

New Contributions to Physics by Prof. C. N. Yang: 2009-2011

NASA Astrophysics Data System (ADS)

Ma, Zhong-Qi

In a seminal paper of 1967, Professor Chen Ning Yang found the full solution of the one-dimensional Fermi gas with a repulsive delta function interaction by using the Bethe ansatz and group theory. This work with a brilliant discovery of the Yang-Baxter equation has been inspiring new developments in mathematical physics, statistical physics, and many-body physics. Based on experimental developments in simulating many-body physics of one-dimensional systems of ultracold atoms, during a period from 2009 to 2011, Prof. Yang published seven papers on the exact properties of the ground state of bosonic and fermionic atoms with the repulsive delta function interaction and a confined potential to one dimension. Here I would like to share my experience in doing research work fortunately under the direct supervision of Prof. Yang in that period.

Observation of three-component fermions in the topological semimetal molybdenum phosphide.

PubMed

Lv, B Q; Feng, Z-L; Xu, Q-N; Gao, X; Ma, J-Z; Kong, L-Y; Richard, P; Huang, Y-B; Strocov, V N; Fang, C; Weng, H-M; Shi, Y-G; Qian, T; Ding, H

2017-06-29

In quantum field theory, Lorentz invariance leads to three types of fermion-Dirac, Weyl and Majorana. Although the existence of Weyl and Majorana fermions as elementary particles in high-energy physics is debated, all three types of fermion have been proposed to exist as low-energy, long-wavelength quasiparticle excitations in condensed-matter systems. The existence of Dirac and Weyl fermions in condensed-matter systems has been confirmed experimentally, and that of Majorana fermions is supported by various experiments. However, in condensed-matter systems, fermions in crystals are constrained by the symmetries of the 230 crystal space groups rather than by Lorentz invariance, giving rise to the possibility of finding other types of fermionic excitation that have no counterparts in high-energy physics. Here we use angle-resolved photoemission spectroscopy to demonstrate the existence of a triply degenerate point in the electronic structure of crystalline molybdenum phosphide. Quasiparticle excitations near a triply degenerate point are three-component fermions, beyond the conventional Dirac-Weyl-Majorana classification, which attributes Dirac and Weyl fermions to four- and two-fold degenerate points, respectively. We also observe pairs of Weyl points in the bulk electronic structure of the crystal that coexist with the three-component fermions. This material thus represents a platform for studying the interplay between different types of fermions. Our experimental discovery opens up a way of exploring the new physics of unconventional fermions in condensed-matter systems.

Cyclic steady states in diffusion-induced plasticity with applications to lithium-ion batteries

NASA Astrophysics Data System (ADS)

Peigney, Michaël

2018-02-01

Electrode materials in lithium-ion batteries offer an example of medium in which stress and plastic flow are generated by the diffusion of guest atoms. In such a medium, deformation and diffusion are strongly coupled processes. For designing electrodes with improved lifetime and electro-mechanical efficiency, it is crucial to understand how plasticity and diffusion evolve over consecutive charging-recharging cycles. With such questions in mind, this paper provides general results for the large-time behavior of media coupling plasticity with diffusion when submitted to cyclic chemo-mechanical loadings. Under suitable assumptions, we show that the stress, the plastic strain rate, the chemical potential and the flux of guest atoms converge to a cyclic steady state which is largely independent of the initial state. A special emphasis is laid on the special case of elastic shakedown, which corresponds to the situation where the plastic strain stops evolving after a sufficiently large number of cycles. Elastic shakedown is expected to be beneficial for the fatigue behavior and - in the case of lithium-ion batteries - for the electro-chemical efficiency. We provide a characterization of the chemo-mechanical loadings for which elastic shakedown occurs. Building on that characterization, we suggest a general method for designing structures in such fashion that they operate in the elastic shakedown regime, whatever the initial state is. An attractive feature of the proposed method is that incremental analysis of the fully coupled plasticity-diffusion problem is avoided. The results obtained are applied to the model problem of a battery electrode cylinder particle under cyclic charging. Closed-form expressions are obtained for the set of charging rates and charging amplitudes for which elastic shakedown occurs, as well as for the corresponding cyclic steady states of stress, lithium concentration and chemical potential. Some results for a spherical particle are also presented.

Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells.

PubMed

Lafond, A; Guillot-Deudon, C; Vidal, J; Paris, M; La, C; Jobic, S

2017-03-06

The substitution of lithium for copper in Cu 2 ZnSnS 4 (CZTS) has been experimentally and theoretically investigated. Formally, the (Cu 1-x Li x )ZnSnS 4 system exhibits two well-defined solid solutions. Indeed, single crystal structural analyses demonstrate that the low (x < 0.4) and high (x > 0.6) lithium-content compounds adopt the kesterite structure and the wurtz-kesterite structure, respectively. For x between 0.4 and 0.6, the two aforementioned structure types coexist. Moreover, 119 Sn NMR analyses carried out on a (Cu 0.7 Li 0.3 ) 2 ZnSnS 4 sample clearly indicate that lithium replaces copper preferentially on two of the three available 2-fold crystallographic sites commonly occupied by Cu and Zn in disordered kesterite. Furthermore, the observed individual lines in the NMR spectrum suggest that the propensity of Cu and Zn atoms to be randomly distributed over the 2c and 2d crystallographic sites is lowered when lithium is partially substituted for copper. Additionally, the first-principles calculations provide insights into the arrangement of Li atoms as a function of the Cu/Zn disorder and its effect on the structural (lattice parameters) and optical properties of CZTS (band gap evolution). Those calculations agree with the experimental observations and account for the evolutions of the unit cell parameters as well as for the increase of band gap when the Li-content increases. The calculation of the formation enthalpy of point defect unambiguously indicates that Li modifies the Cu/Zn disorder in a manner similar to the change of Cu/Zn disorder induced by Ag alloying. Overall, it was found that Li alloying is a versatile way of tuning the optoelectronic properties of CZTS making it a good candidate as wide band gap materials for the top cells of tandem solar cells.

Electronic structures of superionic conductor Li3N

NASA Astrophysics Data System (ADS)

Aoki, Masaru; Ode, Yoshiyuki; Tsumuraya, Kazuo

2011-03-01

Lithium nitride is a superionic conductor with high Li conductivity. The compound has been studied extensively because of its potential utility as electrolyte in solid-state batteries. Though the mobility of the cations within the crystalline solid is high comparable to that of molten salts, the mechanism of the high mobility of the cations remains unsolved. To clarify the origin of the mobility we investigate the electronic states of the Li cations in the Li 3 N crystal with the first principles electronic structure analysis, focusing a correlation between the cations and the ionicities of the constituent atoms. We have found the existence of the covalent bonding between the Li atoms in the Li 3 N crystal in spite of the ionized states of the constituent atoms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orlenko, E. V., E-mail: eorlenko@mail.ru; Evstafev, A. V.; Orlenko, F. E.

A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithiummore » atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated.« less

Detection of Antiferromagnetic Correlations in the Fermi-Hubbard Model

NASA Astrophysics Data System (ADS)

Hulet, Randall

2014-05-01

The Hubbard model, consisting of a cubic lattice with on-site interactions and kinetic energy arising from tunneling to nearest neighbors is a ``standard model'' of strongly correlated many-body physics, and it may also contain the essential ingredients of high-temperature superconductivity. While the Hamiltonian has only two terms it cannot be numerically solved for arbitrary density of spin-1/2 fermions due to exponential growth in the basis size. At a density of one spin-1/2 particle per site, however, the Hubbard model is known to exhibit antiferromagnetism at temperatures below the Néel temperature TN, a property shared by most of the undoped parent compounds of high-Tc superconductors. The realization of antiferromagnetism in a 3D optical lattice with atomic fermions has been impeded by the inability to attain sufficiently low temperatures. We have developed a method to perform evaporative cooling in a 3D cubic lattice by compensating the confinement envelope of the infrared optical lattice beams with blue-detuned laser beams. Evaporation can be controlled by the intensity of these non-retroreflected compensating beams. We observe significantly lower temperatures of a two-spin component gas of 6Li atoms in the lattice using this method. The cooling enables us to detect the development of short-range antiferromagnetic correlations using spin-sensitive Bragg scattering of light. Comparison with quantum Monte Carlo constrains the temperature in the lattice to 2-3 TN. We will discuss the prospects of attaining even lower temperatures with this method. Supported by DARPA/ARO, ONR, and NSF.

Bose and Fermi Gases of Ultracold Ytterbium in a Triangular Optical Lattice

NASA Astrophysics Data System (ADS)

Thobe, Alexander; Doerscher, Soeren; Hundt, Bastian; Kochanke, Andre; Becker, Christoph; Sengstock, Klaus

2013-05-01

Quantum gases of alkaline-earth like atoms such as Calcium, Strontium and Ytterbium (Yb) open up exciting new possibilities for the study of many body physics in optical lattices, ranging from SU(N) symmetric spin Hamiltonians to the Kondo Lattice Model. Here, we present experimental studies of ultracold bosonic and fermionic Yb quantum gases. Unlike other experiments studying ultracold alkaline earth-like atoms, we have implemented a 2D-MOT instead of a Zeeman slower as a source of cold atoms. From the 2D-MOT, operating on the broad 1S0 -->1P1 transtition, the atoms are directly loaded into the 3D-MOT operating on a narrow intercombination line. The atoms are then evaporatively cooled to quantum degeneracy in a crossed optical dipole trap. With this setup we routinely produce BECs and degenerate Fermi gases of different Yb isotopes. Moreover, we present first results on spectroscopy of an interacting fermi gas on the ultranarrow 1S0 -->3P0 clock transition in a magic wavelength optical lattice. In future experiments, this spectroscopy will serve as a versatile tool for interaction sensing and selective addressing of atoms in a wavelength tunable, state dependent, triangular optical lattice, which we are currently implementing. This work is supported by DFG within SFB 925 and GrK 1355, as well as EU FETOpen (iSense).

Electronic structure of the heavy-fermion caged compound Ce 3 Pd 20 X 6 ( X = Si, Ge ) studied by density functional theory and photoelectron spectroscopy

DOE PAGES

Yamaoka, Hitoshi; Schwier, Eike F.; Arita, Masashi; ...

2015-03-30

The electronic structure of Ce₃Pd₂₀X₆ (X = Si, Ge) has been studied using detailed density functional theory (DFT) calculations and high-resolution photoelectron spectroscopy (PES) measurements. The orbital decomposition of the electronic structure by DFT calculations indicates that Ce atoms at the (8c) site surrounded by 16 Pd atoms have a more localized nature and a tendency to be magnetic. Ce atoms in the (4a) site surrounded by 12 Pd and 6 X atoms, on the other, show only a negligible magnetic moment. In the photoemission valence-band spectra we observe a strong f⁰ (Ce⁴⁺) component with a small fraction of f¹more » (Ce³⁺) component. The spectral weight of f¹ component near the Fermi level Ce₃Pd₂₀Si₆ is stronger than that for Ce₃Pd₂₀Ge₆ at the 4d-4f resonance, suggesting stronger c-f hybridization in the former. This may hint to the origin of the large electronic specific coefficient of Ce₃Pd₂₀Si₆ compared to Ce₃Pd₂₀Ge₆.« less

Matter-wave propagation in optical lattices: geometrical and flat-band effects

DOE PAGES

Metcalf, Mekena; Chern, Gia-Wei; Di Ventra, Massimiliano; ...

2016-03-17

Here we report that the geometry of optical lattices can be engineered allowing the study of atomic transport along paths arranged in patterns that are otherwise difficult to probe in the solid state. A question feasible to atomic systems is related to the speed of propagation of matter-waves as a function of the lattice geometry. To address this issue, we have investigated theoretically the quantum transport of non-interacting and weakly-interacting ultracold fermionic atoms in several 2D optical lattice geometries. We find that the triangular lattice has a higher propagation velocity compared to the square lattice, and the cross-linked square latticemore » has an even faster propagation velocity. The increase results from the mixing of the momentum states which leads to different group velocities in quantum systems. Standard band theory provides an explanation and allows for a systematic way to search and design systems with controllable matter-wave propagation. Moreover, the presence of a flat band such as in a two-leg ladder geometry leads to a dynamical density discontinuity due to its localized atoms. Lastly, we discuss possible realizations of those dynamical phenomena.« less

Enhancing Kondo coupling in alkaline-earth-metal atomic gases with confinement-induced resonances in mixed dimensions

NASA Astrophysics Data System (ADS)

Cheng, Yanting; Zhang, Ren; Zhang, Peng; Zhai, Hui

2017-12-01

The Kondo effect describes the spin-exchange interaction between localized impurities and itinerant fermions. The ultracold alkaline-earth atomic gas provides a natural platform for quantum simulation of the Kondo model, utilizing its long-lived clock state and the nuclear-spin exchange interaction between clock state and ground state. One of the key issue now is whether the Kondo temperature can be high enough to be reached in current experiments, for which we have proposed to use transverse confinement to confine atoms into a one-dimensional tube and to use the confinement-induced resonance to enhance Kondo coupling. In this work, we further consider the (1 +0 ) -dimensional scattering problem when the clock state is further confined by an axial harmonic confinement. We show that this axial confinement for the clock-state atoms not only plays a role for localizing them, but can also act as an additional control knob to reach the confinement-induced resonance. We show that, in the presence of both the transverse and the axial confinements, the confinement-induced resonance can be reached in the practical conditions and the Kondo effect can be attainable in this system.

High-resolution studies of the Majorana atomic chain platform

NASA Astrophysics Data System (ADS)

Feldman, Benjamin E.; Randeria, Mallika T.; Li, Jian; Jeon, Sangjun; Xie, Yonglong; Wang, Zhijun; Drozdov, Ilya K.; Andrei Bernevig, B.; Yazdani, Ali

2017-03-01

Ordered assemblies of magnetic atoms on the surface of conventional superconductors can be used to engineer topological superconducting phases and realize Majorana fermion quasiparticles (MQPs) in a condensed matter setting. Recent experiments have shown that chains of Fe atoms on Pb generically have the required electronic characteristics to form a one-dimensional topological superconductor and have revealed spatially resolved signatures of localized MQPs at the ends of such chains. Here we report higher-resolution measurements of the same atomic chain system performed using a dilution refrigerator scanning tunnelling microscope (STM). With significantly better energy resolution than previous studies, we show that the zero-bias peak (ZBP) in Fe chains has no detectable splitting from hybridization with other states. The measurements also reveal that the ZBP exhibits a distinctive `double eye’ spatial pattern on nanometre length scales. Theoretically we show that this is a general consequence of STM measurements of MQPs with substantial spectral weight in the superconducting substrate, a conclusion further supported by measurements of Pb overlayers deposited on top of the Fe chains. Finally, we report experiments performed with superconducting tips in search of the particle-hole symmetric MQP signature expected in such measurements.

Lithium abundance and 6Li/7Li ratio in the active giant HD 123351. I. A comparative analysis of 3D and 1D NLTE line-profile fits

NASA Astrophysics Data System (ADS)

Mott, A.; Steffen, M.; Caffau, E.; Spada, F.; Strassmeier, K. G.

2017-08-01

Context. Current three-dimensional (3D) hydrodynamical model atmospheres together with detailed spectrum synthesis, accounting for departures from local thermodynamic equilibrium (LTE), permit to derive reliable atomic and isotopic chemical abundances from high-resolution stellar spectra. Not much is known about the presence of the fragile 6Li isotope in evolved solar-metallicity red giant branch (RGB) stars, not to mention its production in magnetically active targets like HD 123351. Aims: A detailed spectroscopic investigation of the lithium resonance doublet in HD 123351 in terms of both abundance and isotopic ratio is presented. From fits of the observed spectrum, taken at the Canada-France-Hawaii telescope, with synthetic line profiles based on 1D and 3D model atmospheres, we seek to estimate the abundance of the 6Li isotope and to place constraints on its origin. Methods: We derive the lithium abundance A(Li) and the 6Li/7Li isotopic ratio by fitting different synthetic spectra to the Li-line region of a high-resolution CFHT spectrum (R = 120 000, S/N = 400). The synthetic spectra are computed with four different line lists, using in parallel 3D hydrodynamical CO5BOLD and 1D LHD model atmospheres and treating the line formation of the lithium components in non-LTE (NLTE). The fitting procedure is repeated with different assumptions and wavelength ranges to obtain a reasonable estimate of the involved uncertainties. Results: We find A(Li) = 1.69 ± 0.11 dex and 6Li/7Li = 8.0 ± 4.4% in 3D-NLTE, using the line list of Meléndez et al. (2012, A&A, 543, A29), updated with new atomic data for V I, which results in the best fit of the lithium line profile of HD 123351. Two other line lists lead to similar results but with inferior fit qualities. Conclusions: Our 2σ detection of the 6Li isotope is the result of a careful statistical analysis and the visual inspection of each achieved fit. Since the presence of a significant amount of 6Li in the atmosphere of a cool evolved star is not expected in the framework of standard stellar evolution theory, non-standard, external lithium production mechanisms, possibly related to stellar activity or a recent accretion of rocky material, need to be invoked to explain the detection of 6Li in HD 123351.

Fermion number of twisted kinks in the NJL2 model revisited

NASA Astrophysics Data System (ADS)

Thies, Michael

2018-03-01

As a consequence of axial current conservation, fermions cannot be bound in localized lumps in the massless Nambu-Jona-Lasinio model. In the case of twisted kinks, this manifests itself in a cancellation between the valence fermion density and the fermion density induced in the Dirac sea. To attribute the correct fermion number to these bound states requires an infrared regularization. Recently, this has been achieved by introducing a bare fermion mass, at least in the nonrelativistic regime of small twist angles and fermion numbers. Here, we propose a simpler regularization using a finite box which preserves integrability and can be applied at any twist angle. A consistent and physically plausible assignment of fermion number to all twisted kinks emerges.

Tables Of Gaussian-Type Orbital Basis Functions

NASA Technical Reports Server (NTRS)

Partridge, Harry

1992-01-01

NASA technical memorandum contains tables of estimated Hartree-Fock wave functions for atoms lithium through neon and potassium through krypton. Sets contain optimized Gaussian-type orbital exponents and coefficients, and near Hartree-Fock quality. Orbital exponents optimized by minimizing restricted Hartree-Fock energy via scaled Newton-Raphson scheme in which Hessian evaluated numerically by use of analytically determined gradients.

Observation of three-component fermions in the topological semimetal molybdenum phosphide

NASA Astrophysics Data System (ADS)

Lv, B. Q.; Feng, Z.-L.; Xu, Q.-N.; Gao, X.; Ma, J.-Z.; Kong, L.-Y.; Richard, P.; Huang, Y.-B.; Strocov, V. N.; Fang, C.; Weng, H.-M.; Shi, Y.-G.; Qian, T.; Ding, H.

2017-06-01

In quantum field theory, Lorentz invariance leads to three types of fermion—Dirac, Weyl and Majorana. Although the existence of Weyl and Majorana fermions as elementary particles in high-energy physics is debated, all three types of fermion have been proposed to exist as low-energy, long-wavelength quasiparticle excitations in condensed-matter systems. The existence of Dirac and Weyl fermions in condensed-matter systems has been confirmed experimentally, and that of Majorana fermions is supported by various experiments. However, in condensed-matter systems, fermions in crystals are constrained by the symmetries of the 230 crystal space groups rather than by Lorentz invariance, giving rise to the possibility of finding other types of fermionic excitation that have no counterparts in high-energy physics. Here we use angle-resolved photoemission spectroscopy to demonstrate the existence of a triply degenerate point in the electronic structure of crystalline molybdenum phosphide. Quasiparticle excitations near a triply degenerate point are three-component fermions, beyond the conventional Dirac-Weyl-Majorana classification, which attributes Dirac and Weyl fermions to four- and two-fold degenerate points, respectively. We also observe pairs of Weyl points in the bulk electronic structure of the crystal that coexist with the three-component fermions. This material thus represents a platform for studying the interplay between different types of fermions. Our experimental discovery opens up a way of exploring the new physics of unconventional fermions in condensed-matter systems.

Non-Abelian statistics of vortices with non-Abelian Dirac fermions.

PubMed

Yasui, Shigehiro; Hirono, Yuji; Itakura, Kazunori; Nitta, Muneto

2013-05-01

We extend our previous analysis on the exchange statistics of vortices having a single Dirac fermion trapped in each core to the case where vortices trap two Dirac fermions with U(2) symmetry. Such a system of vortices with non-Abelian Dirac fermions appears in color superconductors at extremely high densities and in supersymmetric QCD. We show that the exchange of two vortices having doublet Dirac fermions in each core is expressed by non-Abelian representations of a braid group, which is explicitly verified in the matrix representation of the exchange operators when the number of vortices is up to four. We find that the result contains the matrices previously obtained for the vortices with a single Dirac fermion in each core as a special case. The whole braid group does not immediately imply non-Abelian statistics of identical particles because it also contains exchanges between vortices with different numbers of Dirac fermions. However, we find that it does contain, as its subgroup, genuine non-Abelian statistics for the exchange of the identical particles, that is, vortices with the same number of Dirac fermions. This result is surprising compared with conventional understanding because all Dirac fermions are defined locally at each vortex, unlike the case of Majorana fermions for which Dirac fermions are defined nonlocally by Majorana fermions located at two spatially separated vortices.

Fermion number anomaly with the fluffy mirror fermion

NASA Astrophysics Data System (ADS)

Okumura, Ken-ichi; Suzuki, Hiroshi

2016-12-01

Quite recently, Grabowska and Kaplan presented a 4-dimensional lattice formulation of chiral gauge theories based on the chiral overlap operator. We study this formulation from the perspective of the fermion number anomaly and possible associated phenomenology. A simple argument shows that the consistency of the formulation implies that the fermion with the opposite chirality to the physical one, the "fluffy mirror fermion" or "fluff", suffers from the fermion number anomaly in the same magnitude (with the opposite sign) as the physical fermion. This immediately shows that if at least one of the fluff quarks is massless, the formulation provides a simple viable solution to the strong CP problem. Also, if the fluff interacts with gravity essentially in the same way as the physical fermion, the formulation can realize the asymmetric dark matter scenario.

State sum constructions of spin-TFTs and string net constructions of fermionic phases of matter

DOE PAGES

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

2017-04-18

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Utility of Lithium in Rare-Earth Metal Reduction Reactions to Form Nontraditional Ln2+ Complexes and Unusual [Li(2.2.2-cryptand)]1+ Cations.

PubMed

Huh, Daniel N; Darago, Lucy E; Ziller, Joseph W; Evans, William J

2018-02-19

The utility of lithium compared to other alkali metals in generating Ln 2+ rare-earth metal complexes via reduction of Ln 3+ precursors in reactions abbreviated as LnA 3 /M (Ln = rare-earth metal; A = anionic ligand; M = alkali metal) is described. Lithium reduction of Cp' 3 Ln (Cp' = C 5 H 4 SiMe 3 ; Ln = Y, Tb, Dy, Ho) under Ar in the presence of 2.2.2-cryptand (crypt) forms new examples of crystallographically characterizable Ln 2+ complexes of these metals, [Li(crypt)][Cp' 3 Ln]. In each complex, lithium is found in an N 2 O 4 donor atom coordination geometry that is unusual for the cryptand ligand. Magnetic susceptibility data on these new examples of nontraditional divalent lanthanide complexes are consistent with 4f n 5d 1 electronic configurations. The Dy and Ho complexes have exceptionally high single-ion magnetic moments, 11.35 and 11.67 μ B , respectively. Lithium reduction of Cp' 3 Y under N 2 at -35 °C forms the Y 2+ complex (Cp' 3 Y) 1- , which reduces dinitrogen upon warming to room temperature to generate the (N 2 ) 2- complex [Cp' 2 Y(THF)] 2 (μ-η 2 :η 2 -N 2 ). These results provide insight on the factors that lead to reduced dinitrogen complexes and/or stable divalent lanthanide complexes as a function of the specific reducing agent and conditions.

MSW-resonant fermion mixing during reheating

NASA Astrophysics Data System (ADS)

Kanai, Tsuneto; Tsujikawa, Shinji

2003-10-01

We study the dynamics of reheating in which an inflaton field couples two flavor fermions through Yukawa-couplings. When two fermions have a mixing term with a constant coupling, we show that the Mikheyev-Smirnov-Wolfenstein (MSW)-type resonance emerges due to a time-dependent background in addition to the standard fermion creation via parametric resonance. This MSW resonance not only alters the number densities of fermions generated by a preheating process but also can lead to the larger energy transfer from the inflaton to fermions. Our mechanism can provide additional source terms for the creation of superheavy fermions which may be relevant for the leptogenesis scenario.

Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn2O4 spinel

NASA Astrophysics Data System (ADS)

Santos-Carballal, David; Ngoepe, Phuti E.; de Leeuw, Nora H.

2018-02-01

The spinel-structured lithium manganese oxide (LiMn2O4 ) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversion thermodynamics and electronic behavior of LiMn2O4 derived from spin-polarized density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+U-D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn2O4 spinel. This equilibrium degree of inversion is rationalized in terms of the crystal field stabilization effects and the difference between the size of the cations. We compare the atomic charges with the oxidation numbers for each degree of inversion. We found segregation of the Mn charge once these ions occupy the tetrahedral and octahedral sites of the spinel. We have obtained the atomic projections of the electronic band structure and density of states, showing that the normal LiMn2O4 has half-metallic properties, while the fully inverse spinel is an insulator. This material is in the ferrimagnetic state for the inverse and partially inverse cation arrangement. The optimized lattice and oxygen parameters, as well as the equilibrium degree of inversion, are in agreement with the available experimental data. The partial equilibrium degree of inversion is important in the interpretation of the lithium ion migration and surface properties of the LiMn2O4 spinel.

Functionalized Fullerenes for Highly Efficient Lithium Ion Storage: Structure-Property-Performance Correlation with Energy Implications

DOE PAGES

Shan, Changsheng; Yen, Hung -Ju; Wu, Kaifeng; ...

2017-08-19

Here, we report that spherical C 60 derivatives with well-defined molecular structures hold great promise to be advanced anode materials for lithium-ion batteries (LIBs). We studied four C 60 molecules with various functional groups, including pristine C 60, carboxyl C 60, ester C 60, and piperazine C 60. The comparison of these C 60s elucidated a strong correlation between functional group, overall packing (crystallinity), and the performance of C 60-based LIBs. Specifically, carboxyl C 60 and neutral ester C 60 showed higher charge capacities than pristine C 60, whereas positively-charged piperazine C 60 exhibited lower capacity. The highest charge capacitymore » was achieved on the carboxyl C 600 (861 mAh g -1 at 100th cycle), which is five times higher than that of pristine C 60 (170 mAh g -1), more than double the theoretical capacity of commercial graphite (372 mAh g -1), and even higher than the theoretical capacity of graphene (744 mAh g -1). Carboxyl C 60 also showed a high capacity at a fast discharge-charge rate (370 mAh g -1 at 5 C). The exceptional performance of carboxyl C 60 can be attributed to multiple key factors. They include the complex formation between lithium ions and oxygen atoms on the carboxyl group, the improved lithium-binding capability of C 60 cage due to electron donating from carboxylate groups, the electrostatic attraction between carboxylate groups and lithium ions, and the large lattice void space and high specific area due to carboxyl functionalization. In conclusion, this study indicates that, while maintaining the basic C 60 electronic properties, functionalization with desired groups can achieve remarkably enhanced capacity and rate performance for lithium storage, thus holding great promise for future LIBs.« less

Functionalized Fullerenes for Highly Efficient Lithium Ion Storage: Structure-Property-Performance Correlation with Energy Implications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shan, Changsheng; Yen, Hung -Ju; Wu, Kaifeng

Here, we report that spherical C 60 derivatives with well-defined molecular structures hold great promise to be advanced anode materials for lithium-ion batteries (LIBs). We studied four C 60 molecules with various functional groups, including pristine C 60, carboxyl C 60, ester C 60, and piperazine C 60. The comparison of these C 60s elucidated a strong correlation between functional group, overall packing (crystallinity), and the performance of C 60-based LIBs. Specifically, carboxyl C 60 and neutral ester C 60 showed higher charge capacities than pristine C 60, whereas positively-charged piperazine C 60 exhibited lower capacity. The highest charge capacitymore » was achieved on the carboxyl C 600 (861 mAh g -1 at 100th cycle), which is five times higher than that of pristine C 60 (170 mAh g -1), more than double the theoretical capacity of commercial graphite (372 mAh g -1), and even higher than the theoretical capacity of graphene (744 mAh g -1). Carboxyl C 60 also showed a high capacity at a fast discharge-charge rate (370 mAh g -1 at 5 C). The exceptional performance of carboxyl C 60 can be attributed to multiple key factors. They include the complex formation between lithium ions and oxygen atoms on the carboxyl group, the improved lithium-binding capability of C 60 cage due to electron donating from carboxylate groups, the electrostatic attraction between carboxylate groups and lithium ions, and the large lattice void space and high specific area due to carboxyl functionalization. In conclusion, this study indicates that, while maintaining the basic C 60 electronic properties, functionalization with desired groups can achieve remarkably enhanced capacity and rate performance for lithium storage, thus holding great promise for future LIBs.« less

Preparation of LiMn{sub 2}O{sub 4} cathode thin films for thin film lithium secondary batteries by a mist CVD process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tadanaga, Kiyoharu, E-mail: tadanaga@chem.osakafu-u.ac.jp; Yamaguchi, Akihiro; Sakuda, Atsushi

2014-05-01

Highlights: • LiMn{sub 2}O{sub 4} thin films were prepared by using the mist CVD process. • An aqueous solution of lithium and manganese acetates is used for the precursor solution. • The cell with the LiMn{sub 2}O{sub 4} thin films exhibited a capacity of about 80 mAh/g. • The cell showed good cycling performance during 10 cycles. - Abstract: LiMn{sub 2}O{sub 4} cathode thin films for thin film lithium secondary batteries were prepared by using so-called the “mist CVD process”, employing an aqueous solution of lithium acetate and manganese acetate, as the source of Li and Mn, respectively. The aqueousmore » solution of starting materials was ultrasonically atomized to form mist particles, and mists were transferred by nitrogen gas to silica glass substrate to form thin films. FE-SEM observation revealed that thin films obtained by this process were dense and smooth, and thin films with a thickness of about 750 nm were obtained. The electrochemical cell with the thin films obtained by sintering at 700 °C exhibited a capacity of about 80 mAh/g, and the cell showed good cycling performance during 10 cycles.« less

Durable polydopamine-coated porous sulfur core-shell cathode for high performance lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

Deng, Yuanfu; Xu, Hui; Bai, Zhaowen; Huang, Baoling; Su, Jingyang; Chen, Guohua

2015-12-01

Lithium-sulfur batteries show fascinating potential for advanced energy system due to their high specific capacity, low-cost, and environmental benignity. However, their wide applications have been plagued by low coulombic efficiency, fast capacity fading and poor rate performance. Herein, a facile method for preparation of S@PDA (PDA = polydopamine) composites with core-shell structure and good electrochemical performance as well as the First-Principles calculations on the interactions of PDA and polysulfides are reported. Taking the advantages of the core-shell structure with porous sulfur core, the high mechanical flexibility of PDA for accommodating the volumetric variation during the discharge/charge processes, the good lithium ion conductivity and the strong chemical interactions between the nitrogen/oxygen atoms with lone electron pair and lithium polysulfides for alleviating their dissolution, the S@PDA composites exhibit high discharge capacities at different current densities (1048 and 869 mAh g-1 at 0.2 and 0.8 A g-1, respectively) and excellent capacity retention capability. A capacity decay as low as 0.021% per cycle and an average coulombic efficiency of 98.5% is observed over a long-term cycling of 890 cycles at 0.8 A g-1. The S@PDA electrode has great potential as a low-cost cathode in high energy Li-S batteries.

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

DOE PAGES

Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, Bernardo; ...

2017-08-02

Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. In this study, we show that inelastic scattering spectroscopy using high-energy x-ray photonsmore » (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO 4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.« less

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hafiz, Hasnain; Suzuki, Kosuke; Barbiellini, Bernardo

Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. In this study, we show that inelastic scattering spectroscopy using high-energy x-ray photonsmore » (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO 4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.« less

X-ray diffraction analysis of LiCu{sub 2}O{sub 2} crystals with additives of silver atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sirotinkin, V. P., E-mail: irotinkin.vladimir@mail.ru; Bush, A. A.; Kamentsev, K. E.

2015-09-15

Silver-containing LiCu{sub 2}O{sub 2} crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1-x)CuO · 20{sub x}AgNO{sub 3} · 20Li{sub 2}CO{sub 3} (0 ≤ x ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu{sub 2}O{sub 2} structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter c of the LiCu{sub 2}O{submore » 2} rhombic unit cell, a slight increase in parameter a, and a slight decrease in parameter b.« less

Observation of crystalline changes of titanium dioxide during lithium insertion by visible spectrum analysis.

PubMed

Nam, Inho; Park, Jongseok; Park, Soomin; Bae, Seongjun; Yoo, Young Geun; Han, Jeong Woo; Yi, Jongheop

2017-05-24

Real-time analysis of changes in the atomic environment of materials is a cutting edge technology that is being used to explain reaction dynamics in many fields of science. Previously, this kind of analysis was only possible using heavy nucleonic equipment such as XANES and EXAFS, or Raman spectroscopy on a moderate scale. Here, a new methodology is described that can be used to track changes in crystalline developments during complex Li insertion reactions via the observation of structural color. To be specific, the changes in atomic crystalline and nanostructure are shown during Li insertion in a complex TiO 2 polymorph. Structural color corresponds to the refractive indices of materials originating from their atomic bonding nature and precise wave interferences in accordance with their nanostructure. Therefore, this new analysis simultaneously reveals changes in the nanostructure as well as changes in the atomic bonding nature of materials.

A permanent magnet trap for buffer gas cooled atoms and molecules

NASA Astrophysics Data System (ADS)

Nohlmans, D.; Skoff, S. M.; Hendricks, R. J.; Segal, D. M.; Sauer, B. E.; Hinds, E. A.; Tarbutt, M. R.

2013-05-01

Cold molecules are set to provide a wealth of new science compared to their atomic counterparts. Here we want to present preliminary results for cooling and trapping atoms/molecules in a permanent magnetic trap. By replacing the conventional buffer gas cell with an arrangement of permanent magnets, we will be able to trap a fraction of the molecules right where they are cooled. For this purpose we have designed a quadrupole trap using NdFeB magnets, which has a trap depth of 0.4 K for molecules with a magnetic moment of 1 μB. Cold helium gas is pulsed into the trap region by a solenoid valve and the atoms/molecules are subsequently ablated into this and cooled via elastic collisions, leaving a fraction of them trapped. This new set-up is currently being tested with lithium atoms as they are easier to make. After having optimised the trapping and detection processes, we will use the same trap for YbF molecules.

Anisotropic Weyl fermions from the quasiparticle excitation spectrum of a 3D Fulde-Ferrell superfluid.

PubMed

Xu, Yong; Chu, Rui-Lin; Zhang, Chuanwei

2014-04-04

Weyl fermions, first proposed for describing massless chiral Dirac fermions in particle physics, have not been observed yet in experiments. Recently, much effort has been devoted to explore Weyl fermions around band touching points of single-particle energy dispersions in certain solid state materials (named Weyl semimetals), similar as graphene for Dirac fermions. Here we show that such Weyl semimetals also exist in the quasiparticle excitation spectrum of a three-dimensional spin-orbit-coupled Fulde-Ferrell superfluid. By varying Zeeman fields, the properties of Weyl fermions, such as their creation and annihilation, number and position, as well as anisotropic linear dispersions around band touching points, can be tuned. We study the manifestation of anisotropic Weyl fermions in sound speeds of Fulde-Ferrell fermionic superfluids, which are detectable in experiments.

Nucleon Isovector Pairing in Nuclei: Microscopic Approach, Boson Representation, and Collective Model

NASA Astrophysics Data System (ADS)

Jolos, R. V.; Kartavenko, V. G.; Kolganova, E. A.

2018-03-01

Nucleon pair correlations in atomic nuclei are analyzed within a nuclear microscopic model with residual isovector pairing forces. These are formulated in the boson representation of fermion operators whereby the collective mode of pair excitations can be isolated without restricting the size of the one-particle basis. This method allows one to analyze the fluctuations in the nonsuperfluid phase of nuclear matter, its phase transition to the superfluid phase, and strong pair correlations. The performance of the method is exemplified by numerical results for the nuclei in the vicinity of the doubly magic 56Ni nucleus.

Experimental reconstruction of the Berry curvature in a Floquet Bloch band

NASA Astrophysics Data System (ADS)

Fläschner, N.; Rem, B. S.; Tarnowski, M.; Vogel, D.; Lühmann, D.-S.; Sengstock, K.; Weitenberg, C.

2016-05-01

Topological properties lie at the heart of many fascinating phenomena in solid-state systems such as quantum Hall systems or Chern insulators. The topology of the bands can be captured by the distribution of Berry curvature, which describes the geometry of the eigenstates across the Brillouin zone. Using fermionic ultracold atoms in a hexagonal optical lattice, we engineered the Berry curvature of the Bloch bands using resonant driving and show a full momentum-resolved measurement of the ensuing Berry curvature. Our results pave the way to explore intriguing phases of matter with interactions in topological band structures.

The Exploration of Hot Nuclear Matter

NASA Astrophysics Data System (ADS)

Jacak, Barbara V.; Müller, Berndt

2012-07-01

When nuclear matter is heated beyond 2 trillion degrees, it becomes a strongly coupled plasma of quarks and gluons. Experiments using highly energetic collisions between heavy nuclei have revealed that this new state of matter is a nearly ideal, highly opaque liquid. A description based on string theory and black holes in five dimensions has made the quark-gluon plasma an archetypical strongly coupled quantum system. Open questions about the structure and theory of the quark-gluon plasma are under active investigation. Many of the insights are also relevant to ultracold fermionic atoms and strongly correlated condensed matter.

Strain-Induced Pseudomagnetic Fields in Twisted Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Zhang, Dong-Bo; Seifert, Gotthard; Chang, Kai

2014-03-01

We present, for the first time, an atomic-level and quantitative study of a strain-induced pseudomagnetic field in graphene nanoribbons with widths of hundreds of nanometers. We show that twisting strongly affects the band structures of graphene nanoribbons with arbitrary chirality and generates well-defined pseudo-Landau levels, which mimics the quantization of massive Dirac fermions in a magnetic field up to 160 T. Electrons are localized either at ribbon edges forming the edge current or at the ribbon center forming the snake orbit current, both being valley polarized. Our result paves the way for the design of new graphene-based nanoelectronics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Superfluid Boson-Fermion Mixture: Structure Formation and Collective Periodic Motion

NASA Astrophysics Data System (ADS)

Mitra, A.

2018-01-01

Multiple periodic domain formation due to a modulation instability in a boson-fermion mixture superfluid in the unitary regime has been studied. The periodicity of the structure evolves with time. At the early stage of evolution, bosonic domains show the periodic nature, whereas the periodicity in the fermionic (Cooper pair) domains appears at the late stage of evolution. The nature of interatomic interspecies interactions affects the domain formation. In a harmonic trap, the mixture executes an undamped oscillation. The frequency of the oscillation depends on the relative coupling strength between boson-fermion and fermion-fermion. The repulsive boson-fermion interaction reduces the oscillation frequency, whereas the attractive interaction enhances the frequency significantly.

Fermion emission from a Julia-Zee dyon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blaer, A.S.; Christ, N.H.; Tang, J.

1982-04-15

A relationship is obtained between the S matrix for the charge-exchange scattering of a fermion by a Julia-Zee dyon and the flux of fermions emitted by the dyon when the mass of the fermions is sufficiently small. In the limit of a pointlike dyon, the required S-matrix elements are obtained in closed form and the corresponding fermion flux is computed explicitly.

Observation of Landau levels on nitrogen-doped flat graphite surfaces without external magnetic fields

PubMed Central

Kondo, Takahiro; Guo, Donghui; Shikano, Taishi; Suzuki, Tetsuya; Sakurai, Masataka; Okada, Susumu; Nakamura, Junji

2015-01-01

Under perpendicular external magnetic fields, two-dimensional carriers exhibit Landau levels (LLs). However, it has recently been reported that LLs have been observed on graphene and graphite surfaces without external magnetic fields being applied. These anomalous LLs have been ascribed primarily to a strain of graphene sheets, leading to in-plane hopping modulation of electrons. Here, we report the observation of the LLs of massive Dirac fermions on atomically flat areas of a nitrogen-doped graphite surface in the absence of external magnetic fields. The corresponding magnetic fields were estimated to be as much as approximately 100 T. The generation of the LLs at the area with negligible strain can be explained by inequivalent hopping of π electrons that takes place at the perimeter of high-potential domains surrounded by positively charged substituted graphitic-nitrogen atoms. PMID:26549618

Constraints on T-Odd, P-Even Interactions from Electric Dipole Moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

A. Kurylov; G. C. McLaughlin; M.J. Ramsey-Musolf

2001-03-01

We construct the relationship between nonrenormalizable,effective, time-reversal violating (TV) parity-conserving (PC) interactions of quarks and gauge bosons and various low-energy TVPC and TV parity-violating (PV) observables. Using effective field theory methods, we delineate the scenarios under which experimental limits on permanent electric dipole moments (EDM's) of the electron, neutron, and neutral atoms as well as limits on TVPC observables provide the most stringent bounds on new TVPC interactions. Under scenarios in which parity invariance is restored at short distances, the one-loop EDM of elementary fermions generate the most severe constraints. The limits derived from the atomic EDM of {sup 199}Hgmore » are considerably weaker. When parity symmetry remains broken at short distances, direct TVPC search limits provide the least ambiguous bounds. The direct limits follow from TVPC interactions between two quarks.« less

Synthetic Landau Levels and Spinor Vortex Matter on a Haldane Spherical Surface with a Magnetic Monopole.

PubMed

Zhou, Xiang-Fa; Wu, Congjun; Guo, Guang-Can; Wang, Ruquan; Pu, Han; Zhou, Zheng-Wei

2018-03-30

We present a flexible scheme to realize exact flat Landau levels on curved spherical geometry in a system of spinful cold atoms. This is achieved by applying the Floquet engineering of a magnetic quadrupole field to create a synthetic monopole field in real space. The system can be exactly mapped to the electron-monopole system on a sphere, thus realizing Haldane's spherical geometry for fractional quantum Hall physics. This method works for either bosons or fermions. We investigate the ground-state vortex pattern for an s-wave interacting atomic condensate by mapping this system to the classical Thompson's problem. The distortion and stability of the vortex pattern are further studied in the presence of dipolar interaction. Our scheme is compatible with the current experimental setup, and may serve as a promising route of investigating quantum Hall physics and exotic spinor vortex matter on curved space.

Emergent Weyl excitations in systems of polar particles.

PubMed

Syzranov, Sergey V; Wall, Michael L; Zhu, Bihui; Gurarie, Victor; Rey, Ana Maria

2016-12-12

Weyl fermions are massless chiral particles first predicted in 1929 and once thought to describe neutrinos. Although never observed as elementary particles, quasiparticles with Weyl dispersion have recently been experimentally discovered in solid-state systems causing a furore in the research community. Systems with Weyl excitations can display a plethora of fascinating phenomena and offer great potential for improved quantum technologies. Here, we show that Weyl excitations generically exist in three-dimensional systems of dipolar particles with weakly broken time-reversal symmetry (by for example a magnetic field). They emerge as a result of dipolar-interaction-induced transfer of angular momentum between the J=0 and J=1 internal particle levels. We also discuss momentum-resolved Ramsey spectroscopy methods for observing Weyl quasiparticles in cold alkaline-earth-atom systems. Our results provide a pathway for a feasible experimental realization of Weyl quasiparticles and related phenomena in clean and controllable atomic systems.

Synthetic Landau Levels and Spinor Vortex Matter on a Haldane Spherical Surface with a Magnetic Monopole

NASA Astrophysics Data System (ADS)

Zhou, Xiang-Fa; Wu, Congjun; Guo, Guang-Can; Wang, Ruquan; Pu, Han; Zhou, Zheng-Wei

2018-03-01

We present a flexible scheme to realize exact flat Landau levels on curved spherical geometry in a system of spinful cold atoms. This is achieved by applying the Floquet engineering of a magnetic quadrupole field to create a synthetic monopole field in real space. The system can be exactly mapped to the electron-monopole system on a sphere, thus realizing Haldane's spherical geometry for fractional quantum Hall physics. This method works for either bosons or fermions. We investigate the ground-state vortex pattern for an s -wave interacting atomic condensate by mapping this system to the classical Thompson's problem. The distortion and stability of the vortex pattern are further studied in the presence of dipolar interaction. Our scheme is compatible with the current experimental setup, and may serve as a promising route of investigating quantum Hall physics and exotic spinor vortex matter on curved space.

Realizing Haldane model in Fe-based honeycomb ferromagnetic insulators

NASA Astrophysics Data System (ADS)

Kim, Heung-Sik; Kee, Hae-Young

2017-12-01

The topological Haldane model on a honeycomb lattice is a prototype of systems hosting topological phases of matter without external fields. It is the simplest model exhibiting the quantum Hall effect without Landau levels, which motivated theoretical and experimental explorations of topological insulators and superconductors. Despite its simplicity, its realization in condensed matter systems has been elusive due to a seemingly difficult condition of spinless fermions with sublattice-dependent magnetic flux terms. While there have been theoretical proposals including elaborate atomic-scale engineering, identifying candidate topological Haldane model materials has not been successful, and the first experimental realization was recently made in ultracold atoms. Here, we suggest that a series of Fe-based honeycomb ferromagnetic insulators, AFe2(PO4)2 (A=Ba, Cs, K, La) possess Chern bands described by the topological Haldane model. How to detect the quantum anomalous Hall effect is also discussed.

Weyl solitons in three-dimensional optical lattices

NASA Astrophysics Data System (ADS)

Shang, Ce; Zheng, Yuanlin; Malomed, Boris A.

2018-04-01

Weyl fermions are massless chiral quasiparticles existing in materials known as Weyl semimetals. Topological surface states, associated with the unusual electronic structure in the Weyl semimetals, have been recently demonstrated in linear systems. Ultracold atomic gases, featuring laser-assisted tunneling in three-dimensional optical lattices, can be used for the emulation of Weyl semimetals, including nonlinear effects induced by the collisional nonlinearity of atomic Bose-Einstein condensates. We demonstrate that this setting gives rise to topological states in the form of Weyl solitons at the surface of the underlying optical lattice. These nonlinear modes, being exceptionally robust, bifurcate from linear states for a given quasimomentum. The Weyl solitons may be used to design an efficient control scheme for topologically protected unidirectional propagation of excitations in light-matter-interaction physics. After the recently introduced Majorana and Dirac solitons, the Weyl solitons proposed in this work constitute the third (and the last) member in this family of topological solitons.

Generalized Pauli constraints in small atoms

NASA Astrophysics Data System (ADS)

Schilling, Christian; Altunbulak, Murat; Knecht, Stefan; Lopes, Alexandre; Whitfield, James D.; Christandl, Matthias; Gross, David; Reiher, Markus

2018-05-01

The natural occupation numbers of fermionic systems are subject to nontrivial constraints, which include and extend the original Pauli principle. A recent mathematical breakthrough has clarified their mathematical structure and has opened up the possibility of a systematic analysis. Early investigations have found evidence that these constraints are exactly saturated in several physically relevant systems, e.g., in a certain electronic state of the beryllium atom. It has been suggested that, in such cases, the constraints, rather than the details of the Hamiltonian, dictate the system's qualitative behavior. Here, we revisit this question with state-of-the-art numerical methods for small atoms. We find that the constraints are, in fact, not exactly saturated, but that they lie much closer to the surface defined by the constraints than the geometry of the problem would suggest. While the results seem incompatible with the statement that the generalized Pauli constraints drive the behavior of these systems, they suggest that the qualitatively correct wave-function expansions can in some systems already be obtained on the basis of a limited number of Slater determinants, which is in line with numerical evidence from quantum chemistry.

Atomic-Scale Control of Silicon Expansion Space as Ultrastable Battery Anodes.

PubMed

Zhu, Jian; Wang, Tao; Fan, Fengru; Mei, Lin; Lu, Bingan

2016-09-27

Development of electrode materials with high capability and long cycle life are central issues for lithium-ion batteries (LIBs). Here, we report an architecture of three-dimensional (3D) flexible silicon and graphene/carbon nanofibers (FSiGCNFs) with atomic-scale control of the expansion space as the binder-free anode for flexible LIBs. The FSiGCNFs with Si nanoparticles surrounded by accurate and controllable void spaces ensure excellent mechanical strength and afford sufficient space to overcome the damage caused by the volume expansion of Si nanoparticles during charge and discharge processes. This 3D porous structure possessing built-in void space between the Si and graphene/carbon matrix not only limits most solid-electrolyte interphase formation to the outer surface, instead of on the surface of individual NPs, and increases its stability but also achieves highly efficient channels for the fast transport of both electrons and lithium ions during cycling, thus offering outstanding electrochemical performance (2002 mAh g(-1) at a current density of 700 mA g(-1) over 1050 cycles corresponding to 3840 mAh g(-1) for silicon alone and 582 mAh g(-1) at the highest current density of 28 000 mA g(-1)).

Compositionally-graded silicon-copper helical arrays as anodes for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Polat, Deniz B.; Keles, Ozgul; Amine, Khalil

2016-02-01

Restrictions in silicon based anodes have been the subject of many researches for years. As an innovative approach, we have adopted ion assisted deposition technique to glancing angle deposition method and have used compositionally-graded structuring. A unique helical shaped gradient film has been produced in which the Cu/Si atomic ratio decreases from the bottom to the top of the coating. With such a unique film (high surface area) more spaces have been created promoting mechanical integrity and reaction between active materials (silicon) with lithium ions. The highly adherent film is formed as a result of ion assisted deposition process and the gradual change in Cu/Si atomic ratio diverts stress through the helices. To compare the performance of the SiCu electrode, a pure Si film is deposited in the same experimental condition. Galvanostatic test results show that although the film with pure Si helices fails after 30th cycles, the compositionally graded anode exhibits a capacity of 1228 mAh g-1 at the 100th cycles with 99.5% coulombic efficiencies when cycled at 100 mA g-1, and delivers 815 mAh g-1 when cycled with a rate of 400 mA g-1.

Laser-driven atomic-probe-beam diagnostics

NASA Astrophysics Data System (ADS)

Knyazev, B. A.; Greenly, J. B.; Hammer, D. A.

2000-12-01

A new laser-driven atomic-probe-beam diagnostic (LAD) is proposed for local, time-resolved measurements of electric field and ion dynamics in the accelerating gap of intense ion beam diodes. LAD adds new features to previous Stark-shift diagnostics which have been progressively developed in several laboratories, from passive observation of Stark effect on ion species or fast (charge-exchanged) neutrals present naturally in diodes, to active Stark atomic spectroscopy (ASAS) in which selected probe atoms were injected into the gap and excited to suitable states by resonant laser radiation. The LAD scheme is a further enhancement of ASAS in which the probe atoms are also used as a local (laser-ionized) ion source at an instant of time. Analysis of the ion energy and angular distribution after leaving the gap enables measurement, at the chosen ionization location in the gap, of both electrostatic potential and the development of ion divergence. Calculations show that all of these quantities can be measured with sub-mm and ns resolution. Using lithium or sodium probe atoms, fields from 0.1 to 10 MV/cm can be measured.

Grown from lithium flux, the ErCo5Si(3.17) silicide is a combination of disordered derivatives of the UCo5Si3 and Yb6Co30P19 structure types.

PubMed

Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Misztal, Renata; Pavlyuk, Volodymyr

2015-06-01

A ternary hexaerbium triacontacobalt enneakaidecasilicide, ErCo5Si(3.17), crystallizes as a combination of disordered variants of the hexagonal UCo5Si3 (P6₃/m) and Yb6Co30P19 (P6) structure types and is closely related to the Sc6Co30Si19 and Ce6Rh30Si19 types. The Er, Co and three of the Si atoms occupy sites of m.. symmetry and a fourth Si atom occupies a site of -6.. symmetry. The environment of the Er atom is a 21-vertex pseudo-Frank-Kasper polyhedron. Trigonal prismatic coordination is observed for the Si atoms. The Co atoms are enclosed in heavily deformed cuboctahedra and 11-vertex polyhedra. Crystallochemistry analysis and the data from electronic structure calculations (TB-LMTO-ASA) suggest that the Er atoms form positively charged cations which compensate the negative charge of the [Co12Si9](m-) polyanions.

Experimental and theoretical screening of nanoscale oxide reactivity with LiBH4

NASA Astrophysics Data System (ADS)

Opalka, S. M.; Tang, X.; Laube, B. L.; Vanderspurt, T. H.

2009-05-01

Experimentation, thermodynamic modeling, and atomic modeling were combined to screen the reactivity of SiO2, Al2O3, and ZrO2 nanoscale oxides with LiBH4. Equilibrium thermodynamic modeling showed that the reactions of oxides with LiBH4 could lead to formation of stable Li-bearing oxide and metal boride phases. Experimentation was conducted to evaluate the discharge/recharge reaction products of nanoscale oxide-LiBH4 mixtures. Thermal gravimetric analyses-mass spectroscopy and x-ray diffraction revealed significant SiO2 destabilization of LiBH4 dehydrogenation, resulting in the formation of lithium silicate and boric acid. A smaller amount of lithium metaborate and boric acid was formed with Al2O3. No destabilization products were observed with ZrO2. Density functional theory atomic modeling predicted much stronger LiBH4 interfacial adsorption on the SiO2 and Al2O3 surfaces than on the ZrO2 surface, which was consistent with the experimental findings. Following dehydrogenation, interfacial Li atoms were predicted to strongly adsorb on the oxide surfaces effectively competing with LiH formation. The interfacial Li interactions with Al2O3 and ZrO2 were equal in strength in the fully hydrided and dehydrided states, so that their predicted net effect on LiBH4 dehydrogenation was insignificant. Zirconia was selected for nanoframework development based on the combined observations of compatibility and weaker associative interactions with LiBH4.

Reactivity of lithium n-butyl amidinates towards group 14 metal(II) chlorides providing series of hetero- and homoleptic tetrylenes.

PubMed

Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš

2012-04-28

The new class of homo- and heteroleptic n-butyl-N,N'-disubstituted amidinato group 14 metal(II) complexes were prepared by salt elimination from starting lithium amidinates and metal(II) chlorides both in stoichiometric ratio 2:1 and 1:1, respectively. The target amidinates contain less bulky isopropyl or cyclohexyl as well as a sterically demanding aromatic substituent. Desired 1:1 Pb(II) complexes are not accessible by the described procedure. Ligand transfer from Pb to Sn is taking place if homoleptic Pb(II) compounds are reacted with SnCl(2). Prepared tetrylenes were characterized by (1)H, (13)C, (119)Sn and (207)Pb NMR spectroscopy in C(6)D(6) or THF-d(8). X-Ray diffraction studies of one heteroleptic Ge(II) monomeric where the coordination polyhedron of the three coordinated germanium atoms is a trigonal pyramid, two different dimeric structures of heteroleptic Sn(II) complexes, one amidine hydroiodide byproduct and the oxidation product of the heteroleptic chloro Sn(II) amidinate as a tetranuclear species with two Sn(IV) and two Sn(II) atoms in central Sn(2)O(2) planar ring were performed on appropriate single crystals. The dimer of one of the heteroleptic stannylenes reveals a new type of monomeric units connection, weak Sn-Cl contact and an interaction of the tin atom with delocalized N-C(C)-N system of the amidinato ligand of the second molecule. This journal is © The Royal Society of Chemistry 2012

Paradoxical roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins

DOE PAGES

Ye, Jianchao C.; Ong, Mitchell T.; Heo, Tae Wook; ...

2015-11-05

Atomic hydrogen exists ubiquitously in graphene materials made by chemical methods. Yet determining the effect of hydrogen on the electrochemical performance of graphene remains a significant challenge. Here we report the experimental observations of high rate capacity in hydrogen-treated 3-dimensional (3D) graphene nanofoam electrodes for lithium ion batteries. Structural and electronic characterization suggests that defect sites and hydrogen play synergistic roles in disrupting sp 2 graphene to facilitate fast lithium transport and reversible surface binding, as evidenced by the fast charge-transfer kinetics and increased capacitive contribution in hydrogen-treated 3D graphene. In concert with experiments, multiscale calculations reveal that defect complexesmore » in graphene are prerequisite for low-temperature hydrogenation, and that the hydrogenation of defective or functionalized sites at strained domain boundaries plays a beneficial role in improving rate capacity by opening gaps to facilitate easier Li penetration. Additional reversible capacity is provided by enhanced lithium binding near hydrogen-terminated edge sites. Furthermore, these findings provide qualitative insights in helping the design of graphene-based materials for high-power electrodes.« less

Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins

PubMed Central

Ye, Jianchao; Ong, Mitchell T.; Heo, Tae Wook; Campbell, Patrick G.; Worsley, Marcus A.; Liu, Yuanyue; Shin, Swanee J.; Charnvanichborikarn, Supakit; Matthews, Manyalibo J.; Bagge-Hansen, Michael; Lee, Jonathan R.I.; Wood, Brandon C.; Wang, Y. Morris

2015-01-01

Atomic hydrogen exists ubiquitously in graphene materials made by chemical methods. Yet determining the effect of hydrogen on the electrochemical performance of graphene remains a significant challenge. Here we report the experimental observations of high rate capacity in hydrogen-treated 3-dimensional (3D) graphene nanofoam electrodes for lithium ion batteries. Structural and electronic characterization suggests that defect sites and hydrogen play synergistic roles in disrupting sp2 graphene to facilitate fast lithium transport and reversible surface binding, as evidenced by the fast charge-transfer kinetics and increased capacitive contribution in hydrogen-treated 3D graphene. In concert with experiments, multiscale calculations reveal that defect complexes in graphene are prerequisite for low-temperature hydrogenation, and that the hydrogenation of defective or functionalized sites at strained domain boundaries plays a beneficial role in improving rate capacity by opening gaps to facilitate easier Li penetration. Additional reversible capacity is provided by enhanced lithium binding near hydrogen-terminated edge sites. These findings provide qualitative insights in helping the design of graphene-based materials for high-power electrodes. PMID:26536830

Abnormal specific heat enhancement and non-Fermi-liquid behavior in the heavy-fermion system U2Cu17 -xGax (5 ≤x ≤8 )

NASA Astrophysics Data System (ADS)

Svanidze, E.; Amon, A.; Prots, Yu.; Leithe-Jasper, A.; Grin, Yu.

2018-03-01

In the antiferromagnetic heavy-fermion compound U2Zn17 , the Sommerfeld coefficient γ can be enhanced if all Zn atoms are replaced by a combination of Cu and Al or Cu and Ga. In the former ternary phase, glassy behavior was observed, while for the latter, conflicting ground-state reports suggest material quality issues. In this work, we investigate the U2Cu17 -xGax substitutional series for 4.5 ≤x ≤9.5 . In the homogeneity range of the phase with the Th2Zn17 -type of crystal structure, all samples exhibit glassy behavior with 0.6 K ≤Tf≤1.8 K . The value of the electronic specific heat coefficient γ in this system exceeds 900 mJ/molUK2. Such a drastic effective-mass enhancement can possibly be attributed to the effects of structural disorder, since the role of electron concentration and lattice compression is likely minimal. Crystallographic disorder is also responsible for the emergence of non-Fermi-liquid behavior in these spin-glass materials, as evidenced by logarithmic divergence of magnetic susceptibility, specific heat, and electrical resistivity.

Engineering frequency-dependent superfluidity in Bose-Fermi mixtures

NASA Astrophysics Data System (ADS)

Arzamasovs, Maksims; Liu, Bo

2018-04-01

Unconventional superconductivity and superfluidity are among the most exciting and fascinating quantum phenomena in condensed-matter physics. Usually such states are characterized by nontrivial spin or spatial symmetry of the pairing order parameter, such as "spin triplet" or "p wave." However, besides spin and spatial dependence the order parameter may have unconventional frequency dependence which is also permitted by Fermi-Dirac statistics. Odd-frequency fermionic pairing is an exciting paradigm when discussing exotic superfluidity or superconductivity and is yet to be realized in experiments. In this paper we propose a symmetry-based method of controlling frequency dependence of the pairing order parameter via manipulating the inversion symmetry of the system. First, a toy model is introduced to illustrate that frequency dependence of the order parameter can be achieved through our proposed approach. Second, by taking advantage of recent rapid developments in producing spin-orbit-coupled dispersions in ultracold gases, we propose a Bose-Fermi mixture to realize such frequency-dependent superfluid. The key idea is introducing the frequency-dependent attraction between fermions mediated by Bogoliubov phonons with asymmetric dispersion. Our proposal should pave an alternative way for exploring frequency-dependent superfluids with cold atoms.

Hybridization with a twist: Hidden (hastatic) order in URu2Si2

NASA Astrophysics Data System (ADS)

Flint, Rebecca

The hidden order developing below 17.5K in the heavy fermion material URu2Si2 has eluded identification for over thirty years. A number of recent experiments have shed new light on the nature of this phase. In particular, de Haas-van Alphen measurements indicate nearly perfectly Ising quasiparticles deep in the hidden order phase, and recent nonlinear susceptibility measurements show that this strong Ising anisotropy persists up to and above the hidden order transition itself. Along with other features, this Ising anisotropy implies that the conduction electrons hybridize with a local Ising moment - a 5f2 state of the uranium atom with integer spin. As the hybridization mixes states of integer and half-integer spin, it is itself a spinor and this ``hastatic'' (hasta: [Latin] spear) order parameter therefore breaks both time-reversal and double time-reversal symmetries. A microscopic theory of hastatic order naturally unites a number of disparate experimental results from the large entropy of condensation to the spin rotational symmetry breaking seen in torque magnetometry, and provides a number of experimental predictions. Moreover, this new spinorial order parameter provides a window into a number of new heavy fermion phases.

Charged fermions below 100 GeV

NASA Astrophysics Data System (ADS)

Egana-Ugrinovic, Daniel; Low, Matthew; Ruderman, Joshua T.

2018-05-01

How light can a fermion be if it has unit electric charge? We revisit the lore that LEP robustly excludes charged fermions lighter than about 100 GeV. We review LEP chargino searches, and find them to exclude charged fermions lighter than 90 GeV, assuming a higgsino-like cross section. However, if the charged fermion couples to a new scalar, destructive interference among production channels can lower the LEP cross section by a factor of 3. In this case, we find that charged fermions as light as 75 GeV can evade LEP bounds, while remaining consistent with constraints from the LHC. As the LHC collects more data, charged fermions in the 75-100 GeV mass range serve as a target for future monojet and disappearing track searches.

Microscopy and microRaman study of periodically poled domains in deeply thinned lithium niobate wafers

NASA Astrophysics Data System (ADS)

Bullen, P. S.; Huang, H.-C.; Yang, H.; Dadap, J. I.; Kymissis, I.; Osgood, R. M.

2016-07-01

The domain structure of poled deeply thinned lithium niobate is investigated as a function of sample thickness. Free-standing samples of thickness from 25 to 500 μm are prepared by a multiple-cycle polish and annealing procedure and then periodically poled. Using these samples and employing micro-Raman scattering and scanning electron, atomic force, and optical microscopy together, the domain broadening and poling voltage are found to vary in a regular and significant manner. The poled domains show a reduction in width spreading of 38% as the sample thickness is reduced from 500 to 25 μm. Micro-Raman probe measurements verify the quality and the uniformity of the poled domains and provide insight into their thickness-dependent poling contrast.

Natural graphene microsheets/sulfur as Li-S battery cathode towards >99% coulombic efficiency of long cycles

NASA Astrophysics Data System (ADS)

Zhang, Yan; Duan, Xiaoyong; Wang, Jie; Wang, Congwei; Wang, Junying; Wang, Jianlong; Wang, Junzhong

2018-02-01

Lithium-sulfur battery receives intense attention owing to its high theoretical energy density. However, poor electrical conductivity of sulfur and poor cycle stability of the battery hinder its application. Here, we report that graphene microsheets prepared from microcrystalline graphite minerals by an electrochemical & mechanical approach work as a special conductive support to load sulfur as the cathode of lithium-sulfur battery. The graphene microsheets have the features of excellent conductivity and low defect, small sheet sizes of <1 μm2 and ≤6 atomic layers as well as natural silicate residue covered. Li-S batteries of graphene microsheets/S as cathode exhibit long-term cyclability and high coulombic efficiency. At 1 C for 2000 cycles, average coulombic efficiency of 99.7% is reached.

In-vivo measurement of lithium in the brain and other organs

DOEpatents

Vartsky, David; Wielopolski, Lucian; LoMonte, Anthony F.; Ellis, Kenneth J.; Cohn, Stanton H.

1985-01-01

The lithium used clinically and distributed in organs such as the brain or idney of humans and other exhaling animals is determined in-vivo by means of neutron radiation and measuring in the exhaled air elemental tritiated hydrogen released from the tritium reaction by the reaction .sup.6 Li(n,.alpha.)T. The tritium atoms so released are transformed in part in the surrounding aqueous solution to form gaseous tritiated hydrogen which has a small solubility in body tissues and liquids and thus appears quickly in the breath. After a recipient fasts and is irradiated with neutrons, the air exhaled in the breath for a given time after irradiation is captured and processed to remove water, isolate hydrogen and measure the tritiated hydrogen with a gaseous organ-methane counter.

Multiple imaging mode X-ray computed tomography for distinguishing active and inactive phases in lithium-ion battery cathodes

NASA Astrophysics Data System (ADS)

Komini Babu, Siddharth; Mohamed, Alexander I.; Whitacre, Jay F.; Litster, Shawn

2015-06-01

This paper presents the use of nanometer scale resolution X-ray computed tomography (nano-CT) in the three-dimensional (3D) imaging of a Li-ion battery cathode, including the separate volumes of active material, binder plus conductive additive, and pore. The different high and low atomic number (Z) materials are distinguished by sequentially imaging the lithium cobalt oxide electrode in absorption and then Zernike phase contrast modes. Morphological parameters of the active material and the additives are extracted from the 3D reconstructions, including the distribution of contact areas between the additives and the active material. This method could provide a better understanding of the electric current distribution and structural integrity of battery electrodes, as well as provide detailed geometries for computational models.

Recovery and recycling of lithium value from spent lithium titanate (Li2TiO3) pebbles

NASA Astrophysics Data System (ADS)

Mandal, D.

2013-09-01

In the first generation fusion reactors the fusion of deuterium (D) and tritium (T) is considered to produce energy to meet the future energy demand. Deuterium is available in nature whereas, tritium is not. Lithium-6 (Li6) isotope has the ability to produce tritium in the n, α nuclear reaction with neutrons. Thus lithium-based ceramics enriched by Li6 isotope are considered for the tritium generation for its use in future fusion reactors. Lithium titanate is one such Li-based ceramic material being considered for its some attractive properties viz., high thermal and chemical stability, high thermal conductivity, and low tritium solubility. It is reported in the literature, that the burn up of these pebbles in the fusion reactor will be limited to only 15-17 atomic percentage. At the end of life, the pebbles will contain more than 45% unused Li6 isotope. Due to the high cost of enriched Li6 and the waste disposal considerations, it is necessary to recover the unused Li from the spent lithium titanate pebbles. Till date, only the feasibilities of different processes are reported, but no process details are available. Experiments were carried out for the recovery of Li from simulated Li2TiO3 pebbles and to reuse of lithium in lithium titanate pebble fabrication. The details of the experiments and results are discussed in this paper. Simulated lithium titanate (Li2TiO3) pebbles. The objective of the study is to develop a process which can be used to recover lithium value form the spent Li2TiO3 pebbles from future fusion reactor. The Li2TiO3 pebbles used in the study were synthesized and fabricated by the solid state reaction process developed by Mandal et al. described in details somewhere else [1,2]. Spherical Li2TiO3 pebbles of size 1.0 mm were used and the properties of the Li2TiO3 pebbles used in the study are shown in Table 1. Hydrochloric acid (HCl), of 99.8% purity, purchased from Merck and Loba Chemicals, Mumbai, India. To leach lithium from Li2TiO3 Hydrochloric acid was used. The reasons to use hydrochloric acid are discussed below. Sodium carbonate (Na2CO3) analytical grade, procured form Merck Chemicals, Mumbai, India. To precipitate lithium as lithium carbonate from lithium hydroxide solution sodium carbonate was used. Distilled water. Distilled was used in the experiments, primarily to dilute hydrochloric acid to the desired molar solution. Leaching agent. Concentration of the leaching agent. Temperature. Speed of agitation. Solid to liquid ratio, and Particle Size. In the experimental work spherical Li2TiO3 pebbles of size 1.0 was used as mentioned above. To study the effect of particle size on the recovery of lithium from fine Li2TiO3 particles of size range 100-200 μm were used. These fines were obtained by pulverizing 1.0 mm Li2TiO3 pebbles in a planetary ball mill and classified standard sieves.It is reported that both HNO3 and HCl give relatively more recovery of lithium compared to H2SO4[11-13]. Though the handling of HCl is difficulties due to the chloride corrosion, it is preferred to HNO3 because the deposal of nitrate waste which will generate due to the latter's use viz. sodium nitrate is a problem as per the norms of pollution control standard [11,12].The leaching of Li2TiO3 pebbles were carried out in a 1000 ml three necked and flat bottom glass reactor. The flux was fitted with a reflux condenser to reduce the loss of solution by evaporation and a thermometer. The solid was suspended in the solution by stirring the solution using a magnetic stirrer. The flux was kept on a hot plate with a temperature controller to heat the slurry at constant temperature. The temperature of the solution was controlled within ±3 °C and the temperature of the slurry was noted at an interval of 5 min and the average temperature of each run is determined by time average of the noted readings.A known of volume of HCl solution with known concentration was added to the flux. After the desired stirring speed and reaction temperature were attained, the solid sample of 5 g was added to the solution in reactor. 5 ml solution was withdrawn and filtered after specific time for analyzing the concentration of lithium in the solution by Atomic Absorption Spectrophotometer (AAS) and 5 ml fresh lixiviant was added into the reactor immediately to maintain the volume of the solution constant.To obtain the optimum conditions, leaching experiments were tested under various conditions, i.e. changing speed of agitation, temperature, S/L ratio and concentration of the acid.

Feasibility of Cathode Surface Coating Technology for High-Energy Lithium-ion and Beyond-Lithium-ion Batteries.

PubMed

Kalluri, Sujith; Yoon, Moonsu; Jo, Minki; Liu, Hua Kun; Dou, Shi Xue; Cho, Jaephil; Guo, Zaiping

2017-12-01

Cathode material degradation during cycling is one of the key obstacles to upgrading lithium-ion and beyond-lithium-ion batteries for high-energy and varied-temperature applications. Herein, we highlight recent progress in material surface-coating as the foremost solution to resist the surface phase-transitions and cracking in cathode particles in mono-valent (Li, Na, K) and multi-valent (Mg, Ca, Al) ion batteries under high-voltage and varied-temperature conditions. Importantly, we shed light on the future of materials surface-coating technology with possible research directions. In this regard, we provide our viewpoint on a novel hybrid surface-coating strategy, which has been successfully evaluated in LiCoO 2 -based-Li-ion cells under adverse conditions with industrial specifications for customer-demanding applications. The proposed coating strategy includes a first surface-coating of the as-prepared cathode powders (by sol-gel) and then an ultra-thin ceramic-oxide coating on their electrodes (by atomic-layer deposition). What makes it appealing for industry applications is that such a coating strategy can effectively maintain the integrity of materials under electro-mechanical stress, at the cathode particle and electrode- levels. Furthermore, it leads to improved energy-density and voltage retention at 4.55 V and 45 °C with highly loaded electrodes (≈24 mg.cm -2 ). Finally, the development of this coating technology for beyond-lithium-ion batteries could be a major research challenge, but one that is viable. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neutron scattering study on cathode LiMn{sub 2}O{sub 4} and solid electrolyte 5(Li{sub 2}O)(P{sub 2}O{sub 5})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kartini, E., E-mail: kartini@batan.go.id; Putra, Teguh P., E-mail: kartini@batan.go.id; Jahya, A. K., E-mail: kartini@batan.go.id

2014-09-30

Neutron scattering is very important technique in order to investigate the energy storage materials such as lithium-ion battery. The unique advantages, neutron can see the light atoms such as Hydrogen, Lithium, and Oxygen, where those elements are negligible by other corresponding X-ray method. On the other hand, the energy storage materials, such as lithium ion battery is very important for the application in the electric vehicles, electronic devices or home appliances. The battery contains electrodes (anode and cathode), and the electrolyte materials. There are many challenging to improve the existing lithium ion battery materials, in order to increase their lifemore » time, cyclic ability and also its stability. One of the most scientific challenging is to investigate the crystal structure of both electrode and electrolyte, such as cathodes LiCoO{sub 2}, LiMn{sub 2}O{sub 4} and LiFePO{sub 4}, and solid electrolyte Li{sub 3}PO{sub 4}. Since all those battery materials contain Lithium ions and Oxygen, the used of neutron scattering techniques to study their structure and related properties are very important and indispensable. This article will review some works of investigating electrodes and electrolytes, LiMn{sub 2}O{sub 4} and 5(Li{sub 2}O)(P{sub 2}O{sub 5}), by using a high resolution powder diffraction (HRPD) at the multipurpose research reactor, RSG-Sywabessy of the National Nuclear Energy Agency (BATAN), Indonesia.« less

Ghost free systems with coexisting bosons and fermions

NASA Astrophysics Data System (ADS)

Kimura, Rampei; Sakakihara, Yuki; Yamaguchi, Masahide

2017-08-01

We study the coexistence system of both bosonic and fermionic degrees of freedom. Even if a Lagrangian does not include higher derivatives, fermionic ghosts exist. For a Lagrangian with up to first derivatives, we find the fermionic ghost free condition in Hamiltonian analysis, which is found to be the same as requiring that the equations of motion of fermions be first order in Lagrangian formulation. When fermionic degrees of freedom are present, the uniqueness of time evolution is not guaranteed a priori because of the Grassmann property. We confirm that the additional condition, which is introduced to close Hamiltonian analysis, also ensures the uniqueness of the time evolution of the system.

Thermodynamics and structural transition of binary atomic Bose-Fermi mixtures in box or harmonic potentials: A path-integral study

NASA Astrophysics Data System (ADS)

Kim, Tom; Chien, Chih-Chun

2018-03-01

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin statistics. The binary atomic mixtures can exhibit a structural transition from a mixture into phase separation as the boson-fermion interaction increases. By using a path-integral formalism to evaluate the grand partition function and the thermodynamic grand potential, we obtain the effective potential of binary Bose-Fermi mixtures. Thermodynamic quantities in a broad range of temperatures and interactions are also derived. The structural transition can be identified as a loop of the effective potential curve, and the volume fraction of phase separation can be determined by the lever rule. For 6Li-7Li and 6Li-41K mixtures, we present the phase diagrams of the mixtures in a box potential at zero and finite temperatures. Due to the flexible densities of atomic gases, the construction of phase separation is more complicated when compared to conventional liquid or solid mixtures where the individual densities are fixed. For harmonically trapped mixtures, we use the local density approximation to map out the finite-temperature density profiles and present typical trap structures, including the mixture, partially separated phases, and fully separated phases.

Magnetic field selective enhancement of Li I lines comparing Li II line in laser ablated lithium plasma at 10- 2 mbar air ambient gas

NASA Astrophysics Data System (ADS)

Liu, Ping; Wu, Ding; Sun, Liying; Hai, Ran; Liu, Jiamin; Ding, Hongbin

2017-11-01

In this paper, the effect of magnetic field (1.1 T) on the atomic and ionic spectral emission of a laser produced lithium plasma at low pressure has been investigated. The experimental results indicate that magnetic field enhances the intensities of Li I spectral lines but reduces the Li II spectral lines intensities. In this study, two narrowband filters were placed before the ICCD camera to observe the evolution feature of Li II spectral line (548.39 nm, 2p3P2,1,0 → 2s3S1) and Li I spectral line (610.30 nm, 3d2P3/2, 5/2 → 2p2P1/2, 3/2), respectively. The plasma dynamic images show that with the magnetic field, the number density of luminous Li atoms is higher, while the number density of luminous Li ions is lower in comparison to the field-free case. The reduced Li II spectral intensities indicate that the quenching rate of Li ions in the excited state is greater than that without the magnetic field. The enhanced impact frequency of recombination indicates that magnetic field increases the recombination process of electron and Li ions. All of these observations strongly suggest that magnetic confinement increases the recombination process of the electrons with Li ions in the plasma, which results in the decrease in the intensity of Li II line. The results are useful for applying laser-induced breakdown spectroscopy (LIBS) to in-situ diagnose the processes of lithium wall conditioning in EAST tokamak.

Li2S Film Formation on Lithium Anode Surface of Li-S batteries.

PubMed

Liu, Zhixiao; Bertolini, Samuel; Balbuena, Perla B; Mukherjee, Partha P

2016-02-01

The precipitation of lithium sulfide (Li2S) on the Li metal anode surface adversely impacts the performance of lithium-sulfur (Li-S) batteries. In this study, a first-principles approach including density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations is employed to theoretically elucidate the Li2S/Li metal surface interactions and the nucleation and growth of a Li2S film on the anode surface due to long-chain polysulfide decomposition during battery operation. DFT analyses of the energetic properties and electronic structures demonstrate that a single molecule adsorption on Li surface releases energy forming chemical bonds between the S atoms and Li atoms from the anode surface. Reaction pathways of the Li2S film formation on Li metal surfaces are investigated based on DFT calculations. It is found that a distorted Li2S (111) plane forms on a Li(110) surface and a perfect Li2S (111) plane forms on a Li(111) surface. The total energy of the system decreases along the reaction pathway; hence Li2S film formation on the Li anode surface is thermodynamically favorable. The calculated difference charge density of the Li2S film/Li surface suggests that the precipitated film would interact with the Li anode via strong chemical bonds. AIMD simulations reveal the role of the anode surface structure and the origin of the Li2S formation via decomposition of Li2S8 polysulfide species formed at the cathode side and dissolved in the electrolyte medium in which they travel to the anode side during battery cycling.

Discrete symmetries and the propagator approach to coupled fermions in Quantum Field Theory. Generalities: The case of a single fermion-antifermion pair

NASA Astrophysics Data System (ADS)

Duret, Q.; Machet, B.

2010-10-01

Starting from Wigner's symmetry representation theorem, we give a general account of discrete symmetries (parity P, charge conjugation C, time-reversal T), focusing on fermions in Quantum Field Theory. We provide the rules of transformation of Weyl spinors, both at the classical level (grassmanian wave functions) and quantum level (operators). Making use of Wightman's definition of invariance, we outline ambiguities linked to the notion of classical fermionic Lagrangian. We then present the general constraints cast by these transformations and their products on the propagator of the simplest among coupled fermionic system, the one made with one fermion and its antifermion. Last, we put in correspondence the propagation of C eigenstates (Majorana fermions) and the criteria cast on their propagator by C and CP invariance.

Beyond triplet: Unconventional superconductivity in a spin-3/2 topological semimetal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Hyunsoo; Wang, Kefeng; Nakajima, Yasuyuki

In all known fermionic super fluids, Cooper pairs are composed of spin-1/2 quasi-particles that pair to form either spin-singlet or spin-triplet bound states. The "spin" of a Bloch electron, however, is xed by the symmetries of the crystal and the atomic orbitals from which it is derived, and in some cases can behave as if it were a spin-3/2 particle. The superconducting state of such a system allows pairing beyond spin-triplet, with higher spin quasi-particles combining to form quintet or even septet pairs. Here, we report evidence of unconventional superconductivity emerging from a spin-3/2 quasiparticle electronic structure in the half-Heuslermore » semimetal YPtBi, a low-carrier density noncentrosymmetric cubic material with a high symmetry that preserves the p-like j = 3/2 manifold in the Bi-based Γ 8 band in the presence of strong spin-orbit coupling. With a striking linear temperature dependence of the London penetration depth, the existence of line nodes in the superconducting order parameter Δ is directly explained by a mixed-parity Cooper pairing model with high total angular momentum, consistent with a high-spin fermionic super fluid state. We propose a k ∙ p model of the j = 3/2 fermions to explain how a dominant J=3 septet pairing state is the simplest solution that naturally produces nodes in the mixed even-odd parity gap. Together with the underlying topologically non-trivial band structure, the unconventional pairing in this system represents a truly novel form of super fluidity that has strong potential for leading the development of a new generation of topological superconductors.« less

Beyond triplet: Unconventional superconductivity in a spin-3/2 topological semimetal

DOE PAGES

Kim, Hyunsoo; Wang, Kefeng; Nakajima, Yasuyuki; ...

2018-04-06

In all known fermionic super fluids, Cooper pairs are composed of spin-1/2 quasi-particles that pair to form either spin-singlet or spin-triplet bound states. The "spin" of a Bloch electron, however, is xed by the symmetries of the crystal and the atomic orbitals from which it is derived, and in some cases can behave as if it were a spin-3/2 particle. The superconducting state of such a system allows pairing beyond spin-triplet, with higher spin quasi-particles combining to form quintet or even septet pairs. Here, we report evidence of unconventional superconductivity emerging from a spin-3/2 quasiparticle electronic structure in the half-Heuslermore » semimetal YPtBi, a low-carrier density noncentrosymmetric cubic material with a high symmetry that preserves the p-like j = 3/2 manifold in the Bi-based Γ 8 band in the presence of strong spin-orbit coupling. With a striking linear temperature dependence of the London penetration depth, the existence of line nodes in the superconducting order parameter Δ is directly explained by a mixed-parity Cooper pairing model with high total angular momentum, consistent with a high-spin fermionic super fluid state. We propose a k ∙ p model of the j = 3/2 fermions to explain how a dominant J=3 septet pairing state is the simplest solution that naturally produces nodes in the mixed even-odd parity gap. Together with the underlying topologically non-trivial band structure, the unconventional pairing in this system represents a truly novel form of super fluidity that has strong potential for leading the development of a new generation of topological superconductors.« less

Nano-sponge ionic liquid-polymer composite electrolytes for solid-state lithium power sources

NASA Astrophysics Data System (ADS)

Liao, Kang-Shyang; Sutto, Thomas E.; Andreoli, Enrico; Ajayan, Pulickel; McGrady, Karen A.; Curran, Seamus A.

Solid polymer gel electrolytes composed of 75 wt.% of the ionic liquid, 1- n-butyl-2,3-dimethylimidazolium bis-trifluoromethanesulfonylimide with 1.0 M lithium bis-trifluoromethanesulfonylimide and 25 wt.% poly(vinylidenedifluoro-hexafluoropropene) are characterized as the electrolyte/separator in solid-state lithium batteries. The ionic conductivity of these gels ranges from 1.5 to 2.0 mS cm -1, which is several orders of magnitude more conductive than any of the more commonly used solid polymers, and comparable to the best solid gel electrolytes currently used in industry. TGA indicates that these polymer gel electrolytes are thermally stable to over 280 °C, and do not begin to thermally decompose until over 300 °C; exhibiting a significant advancement in the safety of lithium batteries. Atomic force microscopy images of these solid thin films indicate that these polymer gel electrolytes have the structure of nano-sponges, with a sub-micron pore size. For these thin film batteries, 150 charge-discharge cycles are run for Li xCoO 2 where x is cycled between 0.95 down to 0.55. Minimal internal resistance effects are observed over the charging cycles, indicating the high ionic conductivity of the ionic liquid solid polymer gel electrolyte. The overall cell efficiency is approximately 98%, and no significant loss in battery efficiency is observed over the 150 cycles.

Unravelling the impact of reaction paths on mechanical degradation of intercalation cathodes for lithium-ion batteries

DOE PAGES

Li, Juchuan; Zhang, Qinglin; Xiao, Xingcheng; ...

2015-10-18

The intercalation compounds are generally considered as ideal electrode materials for lithium-ion batteries thanks to their minimum volume expansion and fast lithium ion diffusion. However, cracking still occurs in those compounds and has been identified as one of the critical issues responsible for their capacity decay and short cycle life, although the diffusion-induced stress and volume expansion are much smaller than those in alloying-type electrodes. Here, we designed a thin-film model system that enables us to tailor the cation ordering in LiNi 0.5Mn 1.5O 4 spinels and correlate the stress patterns, phase evolution, and cycle performances. Surprisingly, we found thatmore » distinct reaction paths cause negligible difference in the overall stress patterns but significantly different cracking behaviors and cycling performances: 95% capacity retention for disordered LiNi 0.5Mn 1.5O 4 and 48% capacity retention for ordered LiNi 0.5Mn 1.5O 4 after 2000 cycles. We were able to pinpoint that the extended solid-solution region with suppressed phase transformation attributed to the superior electrochemical performance of disordered spinel. Furthermore, this work envisions a strategy for rationally designing stable cathodes for lithium-ion batteries through engineering the atomic structure that extends the solid-solution region and suppresses phase transformation.« less

In situ characterization of charge rate dependent stress and structure changes in V2O5 cathode prepared by atomic layer deposition

NASA Astrophysics Data System (ADS)

Jung, Hyun; Gerasopoulos, Konstantinos; Talin, A. Alec; Ghodssi, Reza

2017-02-01

The insertion/extraction of lithium into/from various host materials is the basic process by which lithium-ion batteries reversible store charge. This process is generally accompanied by strain in the host material, inducing stress which can lead to capacity loss. Therefore, understanding of both the structural changes and the associated stress - investigated almost exclusively separate to date - is a critical factor for developing high-performance batteries. Here, we report an in situ method, which utilizes Raman spectroscopy in parallel with optical interferometry to study effects of varying charging rates (C-rates) on the structure and stress in a V2O5 thin film cathode. Abrupt stress changes at specific crystal phase transitions in the Lisbnd Vsbnd O system are observed and the magnitude of the stress changes with the amount of lithium inserted into the electrode are correlated. A linear increase in the stress as a function of x in LixV2O5 is observed, indicating that C-rate does not directly contribute to larger intercalation stress. However, a more rapid increase in disorder within the LixV2O5 layers is correlated with higher C-rate. Ultimately, these experiments demonstrate how the simultaneous stress/Raman in situ approach can be utilized as a characterization platform for investigating various critical factors affecting lithium-ion battery performance.

Scales of mass generation for quarks, leptons, and majorana neutrinos.

PubMed

Dicus, Duane A; He, Hong-Jian

2005-06-10

We study 2-->n inelastic fermion-(anti)fermion scattering into multiple longitudinal weak gauge bosons and derive universal upper bounds on the scales of fermion mass generation by imposing unitarity of the S matrix. We place new upper limits on the scales of fermion mass generation, independent of the electroweak symmetry breaking scale. Strikingly, we find that the strongest 2-->n limits fall in a narrow range, 3-170 TeV (with n=2-24), depending on the observed fermion masses.

Atomic-Scale Observations of (010) LiFePO4 Surfaces Before and After Chemical Delithiation.

PubMed

Kobayashi, Shunsuke; Fisher, Craig A J; Kato, Takeharu; Ukyo, Yoshio; Hirayama, Tsukasa; Ikuhara, Yuichi

2016-09-14

The ability to view directly the surface structures of battery materials with atomic resolution promises to dramatically improve our understanding of lithium (de)intercalation and related processes. Here we report the use of state-of-the-art scanning transmission electron microscopy techniques to probe the (010) surface of commercially important material LiFePO4 and compare the results with theoretical models. The surface structure is noticeably different depending on whether Li ions are present in the topmost surface layer or not. Li ions are also found to migrate back to surface regions from within the crystal relatively quickly after partial delithiation, demonstrating the facile nature of Li transport in the [010] direction. The results are consistent with phase transformation models involving metastable phase formation and relaxation, providing atomic-level insights into these fundamental processes.

Energy-resolved coherent diffraction from laser-driven electronic motion in atoms

NASA Astrophysics Data System (ADS)

Shao, Hua-Chieh; Starace, Anthony F.

2017-10-01

We investigate theoretically the use of energy-resolved ultrafast electron diffraction to image laser-driven electronic motion in atoms. A chirped laser pulse is used to transfer the valence electron of the lithium atom from the ground state to the first excited state. During this process, the electronic motion is imaged by 100-fs and 1-fs electron pulses in energy-resolved diffraction measurements. Simulations show that the angle-resolved spectra reveal the time evolution of the energy content and symmetry of the electronic state. The time-dependent diffraction patterns are further interpreted in terms of the momentum transfer. For the case of incident 1-fs electron pulses, the rapid 2 s -2 p quantum beat motion of the target electron is imaged as a time-dependent asymmetric oscillation of the diffraction pattern.

Stochastic quantization and holographic Wilsonian renormalization group of free massive fermion

NASA Astrophysics Data System (ADS)

Moon, Sung Pil

2018-06-01

We examine a suggested relation between stochastic quantization and the holographic Wilsonian renormalization group in the massive fermion case on Euclidean AdS space. The original suggestion about the general relation between the two theories is posted in arXiv:1209.2242. In the previous researches, it is already verified that scalar fields, U(1) gauge fields, and massless fermions are consistent with the relation. In this paper, we examine the relation in the massive fermion case. Contrary to the other case, in the massive fermion case, the action needs particular boundary terms to satisfy boundary conditions. We finally confirm that the proposed suggestion is also valid in the massive fermion case.

Rooting issue for a lattice fermion formulation similar to staggered fermions but without taste mixing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, David H.

2008-05-15

To investigate the viability of the 4th root trick for the staggered fermion determinant in a simpler setting, we consider a 2-taste (flavor) lattice fermion formulation with no taste mixing but with exact taste-nonsinglet chiral symmetries analogous to the taste-nonsinglet U(1){sub A} symmetry of staggered fermions. Creutz's objections to the rooting trick apply just as much in this setting. To counter them we show that the formulation has robust would-be zero modes in topologically nontrivial gauge backgrounds, and that these manifest themselves in a viable way in the rooted fermion determinant and also in the disconnected piece of the pseudoscalarmore » meson propagator as required to solve the U(1) problem. Also, our rooted theory is heuristically seen to be in the right universality class for QCD if the same is true for an unrooted mixed fermion action theory.« less

A Clifford algebra approach to chiral symmetry breaking and fermion mass hierarchies

NASA Astrophysics Data System (ADS)

Lu, Wei

2017-09-01

We propose a Clifford algebra approach to chiral symmetry breaking and fermion mass hierarchies in the context of composite Higgs bosons. Standard model fermions are represented by algebraic spinors of six-dimensional binary Clifford algebra, while ternary Clifford algebra-related flavor projection operators control allowable flavor-mixing interactions. There are three composite electroweak Higgs bosons resulted from top quark, tau neutrino, and tau lepton condensations. Each of the three condensations gives rise to masses of four different fermions. The fermion mass hierarchies within these three groups are determined by four-fermion condensations, which break two global chiral symmetries. The four-fermion condensations induce axion-like pseudo-Nambu-Goldstone bosons and can be dark matter candidates. In addition to the 125 GeV Higgs boson observed at the Large Hadron Collider, we anticipate detection of tau neutrino composite Higgs boson via the charm quark decay channel.

Parametrically coupled fermionic oscillators: Correlation functions and phase-space description

NASA Astrophysics Data System (ADS)

Ghosh, Arnab

2015-01-01

A fermionic analog of a parametric amplifier is used to describe the joint quantum state of the two interacting fermionic modes. Based on a two-mode generalization of the time-dependent density operator, time evolution of the fermionic density operator is determined in terms of its two-mode Wigner and P function. It is shown that the equation of motion of the Wigner function corresponds to a fermionic analog of Liouville's equation. The equilibrium density operator for fermionic fields developed by Cahill and Glauber is thus extended to a dynamical context to show that the mathematical structures of both the correlation functions and the weight factors closely resemble their bosonic counterpart. It has been shown that the fermionic correlation functions are marked by a characteristic upper bound due to Fermi statistics, which can be verified in the matter wave counterpart of photon down-conversion experiments.

Lorentz-violating type-II Dirac fermions in transition metal dichalcogenide PtTe2.

PubMed

Yan, Mingzhe; Huang, Huaqing; Zhang, Kenan; Wang, Eryin; Yao, Wei; Deng, Ke; Wan, Guoliang; Zhang, Hongyun; Arita, Masashi; Yang, Haitao; Sun, Zhe; Yao, Hong; Wu, Yang; Fan, Shoushan; Duan, Wenhui; Zhou, Shuyun

2017-08-15

Topological semimetals have recently attracted extensive research interests as host materials to condensed matter physics counterparts of Dirac and Weyl fermions originally proposed in high energy physics. Although Lorentz invariance is required in high energy physics, it is not necessarily obeyed in condensed matter physics, and thus Lorentz-violating type-II Weyl/Dirac fermions could be realized in topological semimetals. The recent realization of type-II Weyl fermions raises the question whether their spin-degenerate counterpart-type-II Dirac fermions-can be experimentally realized too. Here, we report the experimental evidence of type-II Dirac fermions in bulk stoichiometric PtTe 2 single crystal. Angle-resolved photoemission spectroscopy measurements and first-principles calculations reveal a pair of strongly tilted Dirac cones along the Γ-A direction, confirming PtTe 2 as a type-II Dirac semimetal. Our results provide opportunities for investigating novel quantum phenomena (e.g., anisotropic magneto-transport) and topological phase transition.Whether the spin-degenerate counterpart of Lorentz-violating Weyl fermions, the Dirac fermions, can be realized remains as an open question. Here, Yan et al. report experimental evidence of such type-II Dirac fermions in bulk PtTe 2 single crystal with a pair of strongly tilted Dirac cones.

An optimized full-configuration-interaction nuclear orbital approach to a ``hard-core'' interaction problem: Application to (3He)N-Cl2(B) clusters (N<=4)

NASA Astrophysics Data System (ADS)

de Lara-Castells, M. P.; Villarreal, P.; Delgado-Barrio, G.; Mitrushchenkov, A. O.

2009-11-01

An efficient full-configuration-interaction nuclear orbital treatment has been recently developed as a benchmark quantum-chemistry-like method to calculate ground and excited "solvent" energies and wave functions in small doped ΔEest clusters (N ≤4) [M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, and A. O. Mitrushchenkov, J. Chem. Phys. 125, 221101 (2006)]. Additional methodological and computational details of the implementation, which uses an iterative Jacobi-Davidson diagonalization algorithm to properly address the inherent "hard-core" He-He interaction problem, are described here. The convergence of total energies, average pair He-He interaction energies, and relevant one- and two-body properties upon increasing the angular part of the one-particle basis set (expanded in spherical harmonics) has been analyzed, considering Cl2 as the dopant and a semiempirical model (T-shaped) He-Cl2(B) potential. Converged results are used to analyze global energetic and structural aspects as well as the configuration makeup of the wave functions, associated with the ground and low-lying "solvent" excited states. Our study reveals that besides the fermionic nature of H3e atoms, key roles in determining total binding energies and wave-function structures are played by the strong repulsive core of the He-He potential as well as its very weak attractive region, the most stable arrangement somehow departing from the one of N He atoms equally spaced on equatorial "ring" around the dopant. The present results for N =4 fermions indicates the structural "pairing" of two H3e atoms at opposite sides on a broad "belt" around the dopant, executing a sort of asymmetric umbrella motion. This pairing is a compromise between maximizing the H3e-H3e and the He-dopant attractions, and suppressing at the same time the "hard-core" repulsion. Although the He-He attractive interaction is rather weak, its contribution to the total energy is found to scale as a power of three and it thus increasingly affects the pair density distributions as the cluster grows in size.