2018, Hauf, Christoph, Hernandez Salvador, Antonio-Andres, Holtz, Marcel, Woerner, Michael, Elsaesser, Thomas

Quantum theory has linked microscopic currents and macroscopic polarizations of ferroelectrics, but the interplay of lattice excitations and charge dynamics on atomic length and time scales is an open problem. Upon phonon excitation in the prototypical ferroelectric ammonium sulfate [(NH4)2SO4], we determine transient charge density maps by femtosecond x-ray diffraction. A newly discovered low frequency-mode with a 3 ps period and sub-picometer amplitudes induces periodic charge relocations over some 100 pm, a hallmark of soft-mode behavior. The transient charge density allows for deriving the macroscopic polarization, showing a periodic reversal of polarity.

2014, Huang, Y., Fang, Y., Zhang, Z., Zhu, L., Sun, M.

Due to its amazing ability to manipulate light at the nanoscale, plasmonics has become one of the most interesting topics in the field of light-matter interaction. As a promising application of plasmonics, surface-enhanced Raman scattering (SERS) has been widely used in scientific investigations and material analysis. The large enhanced Raman signals are mainly caused by the extremely enhanced electromagnetic field that results from localized surface plasmon polaritons. Recently, a novel SERS technology called remote SERS has been reported, combining both localized surface plasmon polaritons and propagating surface plasmon polaritons (PSPPs, or called plasmonic waveguide), which may be found in prominent applications in special circumstances compared to traditional local SERS. In this article, we review the mechanism of remote SERS and its development since it was first reported in 2009. Various remote metal systems based on plasmonic waveguides, such as nanoparticle-nanowire systems, single nanowire systems, crossed nanowire systems and nanowire dimer systems, are introduced, and recent novel applications, such as sensors, plasmon-driven surface-catalyzed reactions and Raman optical activity, are also presented. Furthermore, studies of remote SERS in dielectric and organic systems based on dielectric waveguides remind us that this useful technology has additional, tremendous application prospects that have not been realized in metal systems.

2018, Liu, Z., Lou, R., Guo, P., Wang, Q., Sun, S., Li, C., Thirupathaiah, S., Fedorov, A., Shen, D., Liu, K., Lei, H., Wang, S.

The topological nodal-line semimetal state, serving as a fertile ground for various topological quantum phases, where a topological insulator, Dirac semimetal, or Weyl semimetal can be realized when the certain protecting symmetry is broken, has only been experimentally studied in very few materials. In contrast to discrete nodes, nodal lines with rich topological configurations can lead to more unusual transport phenomena. Utilizing angle-resolved photoemission spectroscopy and first-principles calculations, here, we provide compelling evidence of nodal-line fermions in centrosymmetric semimetal TiB2 with a negligible spin-orbit coupling effect. With the band crossings just below the Fermi energy, two groups of Dirac nodal rings are clearly observed without any interference from other bands, one surrounding the Brillouin zone (BZ) corner in the horizontal mirror plane σh and the other surrounding the BZ center in the vertical mirror plane σv. The linear dispersions forming Dirac nodal rings are as wide as 2 eV. We further observe that the two groups of nodal rings link together along the Γ-K direction, composing a nodal-link configuration. The simple electronic structure with Dirac nodal links mainly constituting the Fermi surfaces suggests TiB2 as a remarkable platform for studying and applying the novel physical properties related to nodal-line fermions.

2015, Vaziri, S., Belete, M., Dentoni Litta, E., Smith, A.D., Lupina, G., Lemme, M.C., Östling, M.

Vertical graphene-based device concepts that rely on quantum mechanical tunneling are intensely being discussed in the literature for applications in electronics and optoelectronics. In this work, the carrier transport mechanisms in semiconductor–insulator–graphene (SIG) capacitors are investigated with respect to their suitability as electron emitters in vertical graphene base transistors (GBTs). Several dielectric materials as tunnel barriers are compared, including dielectric double layers. Using bilayer dielectrics, we experimentally demonstrate significant improvements in the electron injection current by promoting Fowler–Nordheim tunneling (FNT) and step tunneling (ST) while suppressing defect mediated carrier transport. High injected tunneling current densities approaching 103 A cm−2 (limited by series resistance), and excellent current–voltage nonlinearity and asymmetry are achieved using a 1 nm thick high quality dielectric, thulium silicate (TmSiO), as the first insulator layer, and titanium dioxide (TiO2) as a high electron affinity second layer insulator. We also confirm the feasibility and effectiveness of our approach in a full GBT structure which shows dramatic improvement in the collector on-state current density with respect to the previously reported GBTs. The device design and the fabrication scheme have been selected with future CMOS process compatibility in mind. This work proposes a bilayer tunnel barrier approach as a promising candidate to be used in high performance vertical graphene-based tunneling devices.

2023, Yang, Wei, Rosenkranz, Marco, Velkos, Georgios, Ziegs, Frank, Dubrovin, Vasilii, Schiemenz, Sandra, Spree, Lukas, de Souza Barbosa, Matheus Felipe, Guillemard, Charles, Valvidares, Manuel, Büchner, Bernd, Liu, Fupin, Avdoshenko, Stanislav M., Popov, Alexey A.

Nd-based nitride clusterfullerenes NdM2N@C80 with rare-earth metals of different sizes (M = Sc, Y, Lu) were synthesized to elucidate the influence of the cluster composition, shape and internal strain on the structural and magnetic properties. Single crystal X-ray diffraction revealed a very short Nd-N bond length in NdSc2N@C80. For Lu and Y analogs, the further shortening of the Nd-N bond and pyramidalization of the NdM2N cluster are predicted by DFT calculations as a result of the increased cluster size and a strain caused by the limited size of the fullerene cage. The short distance between Nd and nitride ions leads to a very large ligand-field splitting of Nd3+ of 1100-1200 cm−1, while the variation of the NdM2N cluster composition and concomitant internal strain results in the noticeable modulation of the splitting, which could be directly assessed from the well-resolved fine structure in the Nd-based photoluminescence spectra of NdM2N@C80 clusterfullerenes. Photoluminescence measurements also revealed an unprecedentedly strong nephelauxetic effect, pointing to a high degree of covalency. The latter appears detrimental to the magnetic axiality despite the strong ligand field. As a result, the ground magnetic state has considerable transversal components of the pseudospin g-tensor, and the slow magnetic relaxation of NdSc2N@C80 could be observed by AC magnetometry only in the presence of a magnetic field. A combination of the well-resolved magneto-optical states and slow relaxation of magnetization suggests that Nd clusterfullerenes can be useful building blocks for magneto-photonic quantum technologies.

2016, Klein, Olaf, Recupero, Vincenzo

Sweeping processes are a class of evolution differential inclusions arising in elastoplasticity and were introduced by J.J. Moreau in the early seventies. The solution operator of the sweeping processes represents a relevant example of rate independent operator. As a particular case we get the so called play operator, which is a typical example of a hysteresis operator. The continuity properties of these operators were studied in several works. In this note we address the continuity with respect to the strict metric in the space of functions of bounded variation with values in the metric space of closed convex subsets of a Hilbert space. We provide counterexamples showing that for all BV-formulations of the sweeping process the corresponding solution operator is not continuous when its domain is endowed with the strict topology of BV and its codomain is endowed with the L1-topology. This is at variance with the play operator which has a BV-extension that is continuous in this case.

2022, Yadav, Ravi, Reja, Sahinur, Ray, Rajyavardhan, van den Brink, Jeroen, Nishimoto, Satoshi, Yazyev, Oleg V.

The recently synthesized Ag3LiIr2O6 has been proposed as a Kitaev magnet in proximity to the quantum spin liquid phase. We explore its microscopic Hamiltonian and magnetic ground state using many-body quantum chemistry methods and exact diagonalization techniques. Our calculations establish a dominant bond dependent ferromagnetic Kitaev exchange between Ir sites and find that the inclusion of Ag 4d orbitals in the configuration interaction calculations strikingly enhances the Kitaev exchange. Furthermore, using exact diagonalization of the nearest-neighbor fully anisotropic J−K−Γ Hamiltonian, we obtain the magnetic phase diagram as a function of further neighbor couplings. We find that the antiferromagnetic off-diagonal coupling stabilizes long range order, but the structure factor calculations suggest that the material is very close to the quantum spin liquid phase and the ordered state can easily collapse into a liquid by small perturbations such as structural distortion or bond disorder.

2015, Gao, Hong, Sneha, Mahima, Bouakline, Foudhil, Althorpe, Stuart C., Zare, Richard N.

We report rovibrationally selected differential cross sections (DCSs) of the benchmark reaction H + D2 → HD(v′ = 3, j′ = 4–10) + D at a collision energy of 3.26 eV, which exceeds the conical intersection of the H3 potential energy surface at 2.74 eV. We use the PHOTOLOC technique in which a fluorine excimer laser at 157.64 nm photodissociates hydrogen bromide (HBr) molecules to generate fast H atoms and the HD product is detected in a state-specific manner by resonance-enhanced multiphoton ionization. Fully converged quantum wave packet calculations were performed for this reaction at this high collision energy without inclusion of the geometric phase (GP) effect, which takes into account coupling to the first excited state of the H3 potential energy surface. Multimodal structures can be observed in most of the DCSs up to j′ = 10, which is predicted by theory and also well-reproduced by experiment. The theoretically calculated DCSs are in good overall agreement with the experimental measurements, which indicates that the GP effect is not large enough that its existence can be verified experimentally at this collision energy.

2022, Schweika, W., Valldor, M., Reim, J.D., Rößler, U.K.

A chiral spin liquid state is discovered in the highly frustrated, noncentrosymmetric swedenborgite compound YBaCo3FeO7, a layered kagome system of hexagonal symmetry, by advanced polarized neutron scattering from a single domain crystalline sample. The observed diffuse magnetic neutron scattering has an antisymmetric property that relates to its specific chirality, which consists of three cycloidal waves perpendicular to the c axis, forming an entity of cylindrical symmetry. Chirality and symmetry agree with relevant antisymmetric exchanges arising from broken spatial parity. Applying a Fourier analysis to the chiral interference pattern, with distinction between kagome sites and the connecting trigonal interlayer sites of threefold symmetry, the chiral spin correlation function is determined. Characteristic chiral waves originate from the trigonal sites and extend over several periods in the kagome planes. The chiral spin liquid is remarkably stable at low temperatures despite strong antiferromagnetic spin exchange. The observation raises a challenge, since the commonly accepted ground states in condensed matter either have crystalline long-range order or form a quantum liquid. We show that, within the classical theory of magnetic order, a disordered ground state may arise from chirality. The present scenario, with antisymmetric exchange acting as a frustrating gauge background that stabilizes local spin lumps, is similar to the avoided phase transition in coupled gauge and matter fields for subnuclear particles.

2021, Wunderlich, Ralf, Staacke, Robert, Knolle, Wolfgang, Abel, Bernd, Haase, Jürgen, Meijer, Jan

Nuclear magnetic resonance techniques are widely used in the natural sciences but they lack sensitivity. Therefore, large sample volumes or long measurement times are necessary. In this work, we investigate the polarization of bulk 13C nuclei in a diamond above the thermal equilibrium at room temperature. Previously studied mechanisms utilize direct coupling to nitrogen vacancy centers or the additional assistance of substitutional nitrogen impurities for this purpose. We exploit strongly coupled nitrogen vacancy centers as polarization sources. We study two approaches to transfer the optically induced polarization of the electron spins of the nitrogen vacancy centers to nearby nuclear spins. First, the electron-nuclear polarization transfer is achieved by energy matching conditions or, second, by magnetic field sweeps inducing Landau–Zener-like transitions. Simulations according to a quantum mechanical system consisting of two coupled nitrogen vacancy centers and a weakly coupled 13C spin show an excellent agreement with the experimental data. Both approaches allow a reduction of the measurement time by roughly three orders of magnitude.