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https://www.readbyqxmd.com/read/28440916/high-temperature-crystal-structure-and-chemical-bonding-in-thermoelectric-germanium-selenide-gese
#1
Mattia Sist, Carlo Gatti, Peter Nørby, Simone Cenedese, Hidetaka Kasai, Kenichi Kato, Bo B Iversen
The discovery of the ultra-high thermoelectric figure of merit of 2.6 in SnSe has drawn attention to other lead-free IV-VI orthorhombic semiconductors. GeSe has been predicted to possess thermoelectric performances comparable to SnSe. Here, a complete structural study is reported of GeSe with temperature by means of high-resolution synchrotron powder X-ray diffraction. In the orthorhombic phase, the evolution of the bond distances with temperature is shown to deviate significantly with respect to SnSe. Analysis of the chemical bonding within the Quantum Theory of Atoms in Molecules shows that GeSe is ionic with van der Waals interlayer interactions...
April 25, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28440279/the-geometric-phase-of-zn-and-t-symmetric-nanomagnets-as-a-classification-toolkit
#2
M Prada
We derive the general form of the non-trivial geometric phase resulting from the unique combination of point group and time reversal symmetries. This phase arises e.g. when a magnetic adatom is adsorbed on a non-magnetic Cn crystal surface, where n denotes the fold of the principal axis. The energetic ordering and the relevant quantum numbers of the eigenstates are entirely determined by this quantity. Moreover, this phase allows to conveniently predict the protection mechanism of any prepared state, shedding light onto a large number of experiments and allowing a classification scheme...
April 25, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28439552/direct-observation-of-chiral-currents-and-magnetic-reflection-in-atomic-flux-lattices
#3
Fangzhao Alex An, Eric J Meier, Bryce Gadway
The prospect of studying topological matter with the precision and control of atomic physics has driven the development of many techniques for engineering artificial magnetic fields and spin-orbit interactions. Recently, the idea of introducing nontrivial topology through the use of internal (or external) atomic states as effective "synthetic dimensions" has garnered attraction for its versatility and possible immunity from heating. We engineer tunable gauge fields through the local control of tunneling phases in an effective two-dimensional manifold of discrete atomic momentum states...
April 2017: Science Advances
https://www.readbyqxmd.com/read/28436476/multiplex-lexical-networks-reveal-patterns-in-early-word-acquisition-in-children
#4
Massimo Stella, Nicole M Beckage, Markus Brede
Network models of language have provided a way of linking cognitive processes to language structure. However, current approaches focus only on one linguistic relationship at a time, missing the complex multi-relational nature of language. In this work, we overcome this limitation by modelling the mental lexicon of English-speaking toddlers as a multiplex lexical network, i.e. a multi-layered network where N = 529 words/nodes are connected according to four relationship: (i) free association, (ii) feature sharing, (iii) co-occurrence, and (iv) phonological similarity...
April 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28435865/time-reversal-symmetry-breaking-superconductivity-in-epitaxial-bismuth-nickel-bilayers
#5
Xinxin Gong, Mehdi Kargarian, Alex Stern, Di Yue, Hexin Zhou, Xiaofeng Jin, Victor M Galitski, Victor M Yakovenko, Jing Xia
Superconductivity that spontaneously breaks time-reversal symmetry (TRS) has been found, so far, only in a handful of three-dimensional (3D) crystals with bulk inversion symmetry. We report an observation of spontaneous TRS breaking in a 2D superconducting system without inversion symmetry: the epitaxial bilayer films of bismuth and nickel. The evidence comes from the onset of the polar Kerr effect at the superconducting transition in the absence of an external magnetic field, detected by the ultrasensitive loop-less fiber-optic Sagnac interferometer...
March 2017: Science Advances
https://www.readbyqxmd.com/read/28432702/tunable-porous-coordination-polymers-for-the-capture-recovery-and-storage-of-inhalation-anesthetics
#6
Brendan Francis Abrahams, David Dharma, Paul Stephen Donnelly, Timothy Adam Hudson, Cameron J Kepert, Richard Robson, Peter D Southon, Keith Forrest White
The uptake of inhalation anesthetics by three topologically identical frameworks is described. The 3D network materials, which possess square channels of different dimensions, are formed from the relatively simple combination of Zn(II) centres and dianionic ligands that contain a phenolate and a carboxylate group at opposite ends. All three framework materials are able to adsorb N2O, Xe and isoflurane. Whilst the framework with the widest channels is able to adsorb large quantities of the various guests from the gas phase, the frameworks with the narrower channels have superior binding enthalpies and exhibit higher levels of retention...
April 22, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28430504/topological-exciton-bands-in-moir%C3%A3-heterojunctions
#7
Fengcheng Wu, Timothy Lovorn, A H MacDonald
Moiré patterns are common in van der Waals heterostructures and can be used to apply periodic potentials to elementary excitations. We show that the optical absorption spectrum of transition metal dichalcogenide bilayers is profoundly altered by long period moiré patterns that introduce twist-angle dependent satellite excitonic peaks. Topological exciton bands with nonzero Chern numbers that support chiral excitonic edge states can be engineered by combining three ingredients: (i) the valley Berry phase induced by electron-hole exchange interactions, (ii) the moiré potential, and (iii) the valley Zeeman field...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430503/fate-of-majorana-modes-in-cecoin_-5-ybcoin_-5-superlattices-a-test-bed-for-the-reduction-of-topological-classification
#8
Tsuneya Yoshida, Akito Daido, Youichi Yanase, Norio Kawakami
In this paper, we propose CeCoIn_{5}/YbCoIn_{5} superlattice systems as a test bed for the reduction of topological classification in free fermions. We find that the system with a quadlayer of CeCoIn_{5} shows a topological crystalline superconducting phase with the mirror Chern number eight at the noninteracting level. Furthermore, we demonstrate that in the presence of two-body interactions, gapless edge modes are no longer protected by the symmetry in the system with a quadlayer, but are protected in the system with a bilayer or trilayer...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430486/fluctuations-and-topological-defects-in-proper-ferroelectric-crystals
#9
S Prokhorenko, Y Nahas, L Bellaiche
Homotopy theory and first-principles-based effective Hamiltonian simulations are combined to investigate the stability of topological defects in proper ferroelectric crystals. We show that, despite a nearly trivial topology of the order parameter space, these materials can exhibit stable topological point defects in their tetragonal polar phase and stable topological line defects in their orthorhombic polar phase. The stability of such defects originates from a novel mechanism of topological protection related to finite-temperature fluctuations of local dipoles...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430465/elemental-topological-dirac-semimetal-%C3%AE-sn-on-insb-111
#10
Cai-Zhi Xu, Yang-Hao Chan, Yige Chen, Peng Chen, Xiaoxiong Wang, Catherine Dejoie, Man-Hong Wong, Joseph Andrew Hlevyack, Hyejin Ryu, Hae-Young Kee, Nobumichi Tamura, Mei-Yin Chou, Zahid Hussain, Sung-Kwan Mo, Tai-Chang Chiang
Three-dimensional (3D) topological Dirac semimetals (TDSs) are rare but important as a versatile platform for exploring exotic electronic properties and topological phase transitions. A quintessential feature of TDSs is 3D Dirac fermions associated with bulk electronic states near the Fermi level. Using angle-resolved photoemission spectroscopy, we have observed such bulk Dirac cones in epitaxially grown α-Sn films on InSb(111), the first such TDS system realized in an elemental form. First-principles calculations confirm that epitaxial strain is key to the formation of the TDS phase...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28429783/fine-structure-of-the-topological-defect-cores-studied-for-disclinations-in-lyotropic-chromonic-liquid-crystals
#11
Shuang Zhou, Sergij V Shiyanovskii, Heung-Shik Park, Oleg D Lavrentovich
The detailed structure of singularities of ordered field represents a fundamental problem in diverse areas of physics. At the defect cores, the deformations are so strong that the system explores states with symmetry different from that of an undistorted material. These regions are difficult to explore experimentally as their spatial extension is very small, a few molecular lengths in the condensed matter. Here we explore the cores of disclinations in the so-called chromonic nematics that extend over macroscopic length scales accessible for optical characterization...
April 21, 2017: Nature Communications
https://www.readbyqxmd.com/read/28429708/bi1te1-is-a-dual-topological-insulator
#12
Markus Eschbach, Martin Lanius, Chengwang Niu, Ewa Młyńczak, Pika Gospodarič, Jens Kellner, Peter Schüffelgen, Mathias Gehlmann, Sven Döring, Elmar Neumann, Martina Luysberg, Gregor Mussler, Lukasz Plucinski, Markus Morgenstern, Detlev Grützmacher, Gustav Bihlmayer, Stefan Blügel, Claus M Schneider
New three-dimensional (3D) topological phases can emerge in superlattices containing constituents of known two-dimensional topologies. Here we demonstrate that stoichiometric Bi1Te1, which is a natural superlattice of alternating two Bi2Te3 quintuple layers and one Bi bilayer, is a dual 3D topological insulator where a weak topological insulator phase and topological crystalline insulator phase appear simultaneously. By density functional theory, we find indices (0;001) and a non-zero mirror Chern number. We have synthesized Bi1Te1 by molecular beam epitaxy and found evidence for its topological crystalline and weak topological character by spin- and angle-resolved photoemission spectroscopy...
April 21, 2017: Nature Communications
https://www.readbyqxmd.com/read/28419801/on-surface-pseudo-high-dilution-synthesis-of-macrocycles-principle-and-mechanism
#13
Qitang Fan, Tao Wang, Jingya Dai, Julian Kuttner, Gerhard Hilt, J Michael Gottfried, Junfa Zhu
Macrocycles have attracted much attention due to their specific "endless" topology, which results in extraordinary properties compared to related linear (open-chain) molecules. However, challenges still remain in their controlled synthesis with well-defined constitution and geometry. Here, we report the successful application of the (pseudo-)high-dilution method to the conditions of on-surface synthesis in ultrahigh vacuum. This approach leads to high yields (up to 84%) of cyclic hyperbenzene ([18]-honeycombene) via an Ullmann-type reaction from 4,4″-dibromo-meta-terphenyl (DMTP) as precursor on a Ag(111) surface...
April 24, 2017: ACS Nano
https://www.readbyqxmd.com/read/28418442/network-analysis-and-percolation-transition-in-hydrogen-bonded-clusters-nitric-acid-and-water-extracted-by-tributyl-phosphate
#14
Michael J Servis, David T Wu, Jenifer C Braley
Extraction of polar molecules by amphiphilic species results in a complex variety of clusters whose topologies and energetics control phase behavior and efficiency of liquid-liquid separations. A computational approach including quantum mechanical vibrational frequency calculations and molecular dynamics simulation with intermolecular network theory is used to provide a robust assessment of extractant and polar solute association through hydrogen bonding in the tributyl phosphate (TBP)/HNO3/H2O/dodecane system for the first time...
April 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28417576/the-relation-between-chemical-bonding-and-ultrafast-crystal-growth
#15
Tae Hoon Lee, Stephen R Elliott
Glasses are often described as supercooled liquids, whose structures are topologically disordered like a liquid, but nevertheless retain short-range structural order. Structural complexity is often associated with complicated electron-charge distributions in glassy systems, making a detailed investigation challenging even for short-range structural order, let alone their atomic dynamics. This is particularly problematic for lone-pair-rich, semiconducting materials, such as phase-change materials (PCMs). Here, this study shows that analytical methods for studying bonding, based on the electron-charge density, rather than a conventional atomic pair-correlation-function approach, allows an in-depth investigation into the chemical-bonding network, as well as lone pairs, of the prototypical PCM, Ge2 Sb2 Te5 (GST)...
April 18, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28415196/traffic-gridlock-on-a-honeycomb-city
#16
L E Olmos, J D Muñoz
Inspired by an old and almost in oblivion urban plan, we report the behavior of the Biham-Middleton-Levine (BML) model-a paradigm for studying phase transitions of traffic flow-on a hypothetical city with a perfect honeycomb street network. In contrast with the original BML model on a square lattice, the same model on a honeycomb does not show any anisotropy or intermediate states, but a single continuous phase transition between free and totally congested flow, a transition that can be completely characterized by the tools of classical percolation...
March 2017: Physical Review. E
https://www.readbyqxmd.com/read/28411142/pressure-temperature-phase-diagram-of-the-dimorphism-of-the-anti-inflammatory-drug-nimesulide
#17
M Barrio, J Huguet, B Robert, I B Rietveld, R Céolin, J Ll Tamarit
Understanding the phase behavior of active pharmaceutical ingredients is important for formulations of dosage forms and regulatory reasons. Nimesulide is an anti-inflammatory drug that is known to exhibit dimorphism; however up to now its stability behavior was not clear, as few thermodynamic data were available. Therefore, calorimetric melting data have been obtained, which were found to be TI-L=422.4±1.0K, ΔI→LH=117.5±5.2Jg(-1),TII-L=419.8±1.0K and ΔII→LH=108.6±3.3Jg(-1). In addition, vapor-pressure data, high-pressure melting data, and specific volumes have been obtained...
April 12, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28409982/spin-liquid-to-spin-liquid-transition-in-kitaev-magnets-driven-by-fractionalization
#18
Joji Nasu, Yasuyuki Kato, Junki Yoshitake, Yoshitomo Kamiya, Yukitoshi Motome
While phase transitions between magnetic analogs of the three states of matter-a long-range ordered state, paramagnet, and spin liquid-are extensively studied, the possibility of "liquid-liquid" transitions, namely, between different spin liquids, remains elusive. By introducing the additional Ising coupling into the honeycomb Kitaev model with bond asymmetry, we discover that the Kitaev spin liquid turns into a spin-nematic quantum paramagnet before a magnetic order is established by the Ising coupling. The quantum phase transition between the two liquid states accompanies a topological change driven by fractionalized excitations, the Z_{2} gauge fluxes, and is of first order...
March 31, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28409966/parafermionic-wires-at-the-interface-of-chiral-topological-states
#19
Luiz H Santos, Taylor L Hughes
We explore a scenario where local interactions form one-dimensional gapped interfaces between a pair of distinct chiral two-dimensional topological states-referred to as phases 1 and 2-such that each gapped region terminates at a domain wall separating the chiral gapless edge states of these phases. We show that this type of T junction supports pointlike fractionalized excitations obeying parafermion statistics, thus implying that the one-dimensional gapped interface forms an effective topological parafermionic wire possessing a nontrivial ground state degeneracy...
March 31, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28409954/direct-probe-of-topological-invariants-using-bloch-oscillating-quantum-walks
#20
V V Ramasesh, E Flurin, M Rudner, I Siddiqi, N Y Yao
The topology of a single-particle band structure plays a fundamental role in understanding a multitude of physical phenomena. Motivated by the connection between quantum walks and such topological band structures, we demonstrate that a simple time-dependent, Bloch-oscillating quantum walk enables the direct measurement of topological invariants. We consider two classes of one-dimensional quantum walks and connect the global phase imprinted on the walker with its refocusing behavior. By disentangling the dynamical and geometric contributions to this phase, we describe a general strategy to measure the topological invariant in these quantum walks...
March 31, 2017: Physical Review Letters
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