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Jan-Philipp Hanke, Frank Freimuth, Stefan Blügel, Yuriy Mokrousov
We predict from first principles an entirely topological orbital magnetization in the noncoplanar bulk antiferromagnet γ-FeMn originating in the nontrivial topology of the underlying spin structure, without any reference to spin-orbit interaction. Studying the influence of strain, composition ratio, and spin texture on the topological orbital magnetization and the accompanying topological Hall effect, we promote the scalar spin chirality as key mechanism lifting the orbital degeneracy. The system is thus a prototypical topological orbital ferromagnet, the macroscopic orbital magnetization of which is prominent even without spin-orbit coupling...
January 20, 2017: Scientific Reports
A Stupakiewicz, K Szerenos, D Afanasiev, A Kirilyuk, A V Kimel
Discovering ways to control the magnetic state of media with the lowest possible production of heat and at the fastest possible speeds is important in the study of fundamental magnetism, with clear practical potential. In metals, it is possible to switch the magnetization between two stable states (and thus to record magnetic bits) using femtosecond circularly polarized laser pulses. However, the switching mechanisms in these materials are directly related to laser-induced heating close to the Curie temperature...
January 18, 2017: Nature
Hui Li, Wei Chen, Xiaopeng Shen, Jingwei Liu, Xuri Huang, Guangtao Yu
On the basis of first-principles computations, we propose a simple and effective strategy through surface-adsorbing 3d-transition metal (TM) atoms, including Ti, Cr, Mn, Fe and Co, to modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons (zSiCNRs), in view of the unique d electronic structures and intrinsic magnetic moments of TM atoms. It is revealed that like applying an electric field, the adsorption of these transition metal atoms can induce an evident change in the electrostatic potential of the substrate zSiCNRs owing to the electron transfer from the TM atom to the substrate...
January 17, 2017: Physical Chemistry Chemical Physics: PCCP
Andrei E Tarkhov, Leonid I Menshikov, Peter O Fedichev
Gompertz empirical law of mortality is often used in practical research to parametrize survival fraction as a function of age with the help of just two quantities: the Initial Mortality Rate (IMR) and the Gompertz exponent, inversely proportional to the Mortality Rate Doubling Time (MRDT). The IMR is often found to be inversely related to the Gompertz exponent, which is the dependence commonly referred to as Strehler-Mildvan (SM) correlation. In this paper, we address fundamental uncertainties of the Gompertz parameters inference from experimental Kaplan-Meier plots and show, that a least squares fit often leads to an ill-defined non-linear optimization problem, which is extremely sensitive to sampling errors and the smallest systematic demographic variations...
January 16, 2017: Journal of Theoretical Biology
Blessing O Emerenini, Stefanie Sonner, Hermann J Eberl
We analyze a mathematical model of quorum sensing induced biofilm dispersal. It is formulated as a system of non-linear, density-dependent, diffusion-reaction equations. The governing equation for the sessile biomass comprises two non-linear diffusion effects, a degeneracy as in the porous medium equation and fast diffusion. This equation is coupled with three semi-linear diffusion-reaction equations for the concentrations of growth limiting nutrients, autoinducers, and dispersed cells. We prove the existence and uniqueness of bounded non-negative solutions of this system and study the behavior of the model in numerical simulations, where we focus on hollowing effects in established biofilms...
June 1, 2017: Mathematical Biosciences and Engineering: MBE
Jan Kuhnert, Arash Rahimi-Iman, Wolfram Heimbrodt
Layered transition-metal dichalcogenides have attracted great interest in the last few years. Thinned down to the monolayer limit they change from an indirect band structure to a direct band gap in the visible region. Due to the monolayer thickness the inversion symmetry of the crystal is broken and spin and valley are coupled to each other. The degeneracy between the two equivalent valleys, K and K', respectively, can be lifted by applying an external magnetic field. Here, we present photoluminescence measurements of CVD-grown tungsten disulphide (WS2) monolayers at temperatures of 2 K...
January 12, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
James M Heather, Mazlina Ismail, Theres Oakes, Benny Chain
T-cell specificity is determined by the T-cell receptor, a heterodimeric protein coded for by an extremely diverse set of genes produced by imprecise somatic gene recombination. Massively parallel high-throughput sequencing allows millions of different T-cell receptor genes to be characterized from a single sample of blood or tissue. However, the extraordinary heterogeneity of the immune repertoire poses significant challenges for subsequent analysis of the data. We outline the major steps in processing of repertoire data, considering low-level processing of raw sequence files and high-level algorithms, which seek to extract biological or pathological information...
January 10, 2017: Briefings in Bioinformatics
Paul Avramov, Alexander A Kuzubov, Artem V Kuklin, Hyosun Lee, Evgenia A Kovaleva, Seiji Sakai, Shiro Entani, Hiroshi Naramoto, Pavel B Sorokin
The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the π-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments...
January 11, 2017: Journal of Physical Chemistry. A
Andrew Forbes
Optical modes that carry orbital angular momentum (OAM) are routinely produced external to the laser cavity and have found a variety of applications, thus increasing the demand for integrated solutions for their production. Yet such modes are notoriously difficult to produce from lasers due to the strict symmetry requirements for their creation, together with the need to break the degeneracy in helicity. Here, we review the progress made since 1992 in producing such twisted light modes directly at the source, from gas to solid-state lasers, bulk to integrated on-chip solutions, through to generic devices for on-demand OAM in both scalar and vector forms...
February 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
Dushyant K Sharma, Surya K Pathak
In this study, we report slow wave propagation characteristics of an extremely anisotropic metamaterial loaded helical guide (EAMLHG). An analytical expression has been theoretically derived and numerically computed to get exact solutions of all possible guided modes of propagation. Anisotropy is defined in terms of positive longitudinal permittivity (ϵz > 0) and negatives transverse permittivity value (ϵt < 0). The waveguide supports hybrid (HE) mode propagation and possesses characteristics of backward wave (BW) mode, forward wave (FW) mode, zero-group velocity and mode-degeneracy...
December 26, 2016: Optics Express
Jiawei Zhang, Lirong Song, Steffen Hindborg Pedersen, Hao Yin, Le Thanh Hung, Bo Brummerstedt Iversen
Widespread application of thermoelectric devices for waste heat recovery requires low-cost high-performance materials. The currently available n-type thermoelectric materials are limited either by their low efficiencies or by being based on expensive, scarce or toxic elements. Here we report a low-cost n-type material, Te-doped Mg3Sb1.5Bi0.5, that exhibits a very high figure of merit zT ranging from 0.56 to 1.65 at 300-725 K. Using combined theoretical prediction and experimental validation, we show that the high thermoelectric performance originates from the significantly enhanced power factor because of the multi-valley band behaviour dominated by a unique near-edge conduction band with a sixfold valley degeneracy...
January 6, 2017: Nature Communications
Bing Wang, Keqiong Ye
The assembly of eukaryotic ribosomes requires numerous factors that transiently associate with evolving pre-ribosomal particles. The Pumilio repeat-containing protein Nop9 briefly associates with the 90S pre-ribosome during its co-transcriptional assembly. Here, we show that Nop9 specifically binds an 11-nucleotide sequence of 18S rRNA that forms the 3' side of the central pseudoknot and helix 28 in the mature subunit. Crystal structures of Nop9 in the free and RNA-bound states reveal a new type of Pumilio repeat protein with a distinct structure, target sequence and RNA-binding mode...
January 3, 2017: Nucleic Acids Research
Mark Hindmarsh, Kari Rummukainen, David J Weir
We study the properties of classical vortex solutions in a non-Abelian gauge theory. A system of two adjoint Higgs fields breaks the SU(2) gauge symmetry to Z_{2}, producing 't Hooft-Polyakov monopoles trapped on cosmic strings, termed beads; there are two charges of monopole and two degenerate string solutions. The strings break an accidental discrete Z_{2} symmetry of the theory, explaining the degeneracy of the ground state. Further symmetries of the model, not previously appreciated, emerge when the masses of the two adjoint Higgs fields are degenerate...
December 16, 2016: Physical Review Letters
Ibrica Tutic, Juliana Herran, Bradley Staten, Paul Gray, Tula R Paudel, Andrei Sokolov, Evgeny Y Tsymbal, Pavel V Lukashev
A high degree of spin polarization in electron transport is one of the most sought-after properties of a material which can be used in spintronics-an emerging technology utilizing a spin degree of freedom in electronic devices. An ideal candidate to exhibit highly spin-polarized current would be a room temperature half-metal, a material which behaves as an insulator for one spin channel and as a conductor for the other spin channel. In this paper, we explore a semi-Heusler compound, IrMnSb, which has been reported to exhibit pressure induced half-metallic transition...
February 22, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
R Saito, A R T Nugraha, E H Hasdeo, N T Hung, W Izumida
In this article, we overview our recent theoretical works on electronic and optical properties of carbon nanotubes by going from the background to the perspectives. Electronic Raman spectra of metallic carbon nanotubes give a new picture of Raman processes. Thermoelectricity of semiconducting nanotubes gives a general concept of the confinement effect on the thermoelectric power factor. Selective excitation of only a single phonon mode is proposed by the pulsed train technique of coherent phonon spectroscopy...
February 2017: Topics in Current Chemistry (Journal)
Chinmayee L Mukunda, Rishikesh Narayanan
Information processing in neurons is known to emerge as a gestalt of pre- and post-synaptic filtering. However, the impact of presynaptic mechanisms on synaptic filters has not been quantitatively assessed. Here, we developed a biophysically-rooted, conductance-based model synapse that was endowed with six different voltage-gated ion channels, calcium pumps, calcium buffer and neurotransmitter-replenishment mechanisms in the presynaptic terminal. We tuned our model to match the short-term plasticity profile and band-pass structure of Schaffer collateral synapses, and performed sensitivity analyses to demonstrate that presynaptic voltage-gated ion channels regulated synaptic filters through changes in excitability and associated calcium influx...
December 27, 2016: Journal of Physiology
Jens Kügel, Aimee Sixta, Markus Böhme, Andreas Krönlein, Matthias Bode
We present a detailed study of the tautomerization, that is, the switching of hydrogen protons, between different sites in the molecular frame of phthalocyanine (H2Pc) on a Ag(111) substrate by means of scanning tunneling microscopy (STM) and STM-based pump-and-sample techniques. Our data reveal that the symmetry mismatch between the substrate and the molecular frame lifts the energetic degeneracy of the two H2Pc tautomers. Their energy difference is so large that only one tautomer can be found in the ground state...
December 27, 2016: ACS Nano
Xue-Wen Fu, Cai-Zhen Li, Liang Fang, Da-Meng Liu, Jun Xu, Da-Peng Yu, Zhi-Min Liao
Photoelectrical properties of semiconductor nanostructures are expected to be improved significantly by strain engineering. Besides the local strain, the strain gradient is promising to tune the luminescence properties by modifying the crystal symmetry. Here, we report the investigation of strain-gradient induced symmetry-breaking effect on excitonic states in pure bending ZnO microwires by high spatial-resolved cathodoluminescence at low temperature of 80 K. In addition to the local-strain induced light emission peak shift, the bound exciton emission photon energy shows an extraordinary jump of ∼16...
December 27, 2016: ACS Nano
Paul H Mason, Ryszard Maleszka, Juan F Dominguez D
Ageing is a poorly understood process of human development mired by a scientific approach that struggles to piece together distributed variable factors involved in ongoing transformations of living systems. Reconfiguring existing research paradigms, we review the concept of 'degeneracy', which has divergent popular and technical definitions. The technical meaning of degeneracy refers to the structural diversity underlying functional plasticity. Degeneracy is a distributed system property that can be observed within individual brains or across different brains...
December 21, 2016: Mechanisms of Ageing and Development
Michael Filatov, Fang Liu, Kwang S Kim, Todd J Martínez
The spin-restricted ensemble-referenced Kohn-Sham (REKS) method is based on an ensemble representation of the density and is capable of correctly describing the non-dynamic electron correlation stemming from (near-)degeneracy of several electronic configurations. The existing REKS methodology describes systems with two electrons in two fractionally occupied orbitals. In this work, the REKS methodology is extended to treat systems with four fractionally occupied orbitals accommodating four electrons and self-consistent implementation of the REKS(4,4) method with simultaneous optimization of the orbitals and their fractional occupation numbers is reported...
December 28, 2016: Journal of Chemical Physics
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