Modeling the polymorphism of pentacene

Thin films of pentacene are known to crystallize in at least four different polymorphs. All polymorphs are layered structures that are characterized by their interlayer spacing d(001). We develop a model that rationalizes the size of the interlayer spacing in terms of intralayer shifts of the pentacene molecules along their long molecular axes. It explains the wide variety of interlayer spacings, without distorting the herringbone pattern that is characteristic of many acenes. Using two simple theoretical models, we attempt to relate the intralayer shifts with the dominant, although weak, interatomic interactions (van der Waals, weak electrostatic, and covalent). For two polymorphs, a consistent picture is found. A full understanding of the other two, substrate-induced, polymorphs probably requires consideration of interlayer interactions

Hidden Orbital Order in URu2Si2URu_{2}Si_{2}

When matter is cooled from high temperatures, collective instabilities develop amongst its constituent particles that lead to new kinds of order. An anomaly in the specific heat is a classic signature of this phenomenon. Usually the associated order is easily identified, but sometimes its nature remains elusive. The heavy fermion metal $URu_2Si_2$ is one such example, where the order responsible for the sharp specific heat anomaly at $T_0=17 K$ has remained unidentified despite more than seventeen years of effort. In $URu_{2}Si_{2}$, the coexistence of large electron-electron repulsion and antiferromagnetic fluctuations in $URu_2Si_2$ leads to an almost incompressible heavy electron fluid, where anisotropically paired quasiparticle states are energetically favored. In this paper we use these insights to develop a detailed proposal for the hidden order in $URu_2Si_2$. We show that incommensurate orbital antiferromagnetism, associated with circulating currents between the uranium ions, can account for the local fields and entropy loss observed at the $17 K$ transition; furthermore we make detailed predictions for neutron scattering measurements

Spin-orbit density wave induced hidden topological order in URu2Si2

The conventional order parameters in quantum matters are often characterized by 'spontaneous' broken symmetries. However, sometimes the broken symmetries may blend with the invariant symmetries to lead to mysterious emergent phases. The heavy fermion metal URu2Si2 is one such example, where the order parameter responsible for a second-order phase transition at Th = 17.5 K has remained a long-standing mystery. Here we propose via ab-initio calculation and effective model that a novel spin-orbit density wave in the f-states is responsible for the hidden-order phase in URu2Si2. The staggered spin-orbit order 'spontaneous' breaks rotational, and translational symmetries while time-reversal symmetry remains intact. Thus it is immune to pressure, but can be destroyed by magnetic field even at T = 0 K, that means at a quantum critical point. We compute topological index of the order parameter to show that the hidden order is topologically invariant. Finally, some verifiable predictions are presented.Comment: (v2) Substantially modified from v1, more calculation and comparison with experiments are include

Fermi surface instability at the hidden-order transition of URu2Si2

Solids with strong electron correlations generally develop exotic phases of electron matter at low temperatures. Among such systems, the heavy-fermion semi-metal URu2Si2 presents an enigmatic transition at To = 17.5 K to a `hidden order' state whose order parameter remains unknown after 23 years of intense research. Various experiments point to the reconstruction and partial gapping of the Fermi surface when the hidden-order establishes. However, up to now, the question of how this transition affects the electronic spectrum at the Fermi surface has not been directly addressed by a spectroscopic probe. Here we show, using angle-resolved photoemission spectroscopy, that a band of heavy quasi-particles drops below the Fermi level upon the transition to the hidden-order state. Our data provide the first direct evidence of a large reorganization of the electronic structure across the Fermi surface of URu2Si2 occurring during this transition, and unveil a new kind of Fermi-surface instability in correlated electron systemsComment: 15 pages, 5 figure

Carbon Nanotubes Encapsulating Superconducting Single-Crystalline Tin Nanowires

Superconducting low dimensional systems are the natural choice for fast and sensitive infrared detection, because of their quantum nature and the low-noise, cryogenic operation environment. On the other hand, monochromatic and coherent electron beams, emitted from superconductors and carbon-based nanostructured materials, respectively, are significant for the development of electron optical systems such as electron microscopes and electron-beam nanofabrication systems. Here we describe for the first time a simple method which yields carbon nanotubes encapsulating single crystalline superconducting tin nanowires by employing the catalytic chemical vapor deposition method over solid tin dioxide. The superconducting tin nanowires, with diameters 15-35 nm, are covered with well-graphitized carbon walls and show, due to their reduced diameters, a critical magnetic field (Hc) more than 30 times higher than the value of bulk metallic tin.

High magnetic field scales and critical currents in SmFeAs(O,F) crystals: promising for applications

Superconducting technology provides most sensitive field detectors, promising implementations of qubits and high field magnets for medical imaging and for most powerful particle accelerators. Thus, with the discovery of new superconducting materials, such as the iron pnictides, exploring their potential for applications is one of the foremost tasks. Even if the critical temperature Tc is high, intrinsic electronic properties might render applications rather difficult, particularly if extreme electronic anisotropy prevents effective pinning of vortices and thus severely limits the critical current density, a problem well known for cuprates. While many questions concerning microscopic electronic properties of the iron pnictides have been successfully addressed and estimates point to a very high upper critical field, their application potential is less clarified. Thus we focus here on the critical currents, their anisotropy and the onset of electrical dissipation in high magnetic fields up to 65 T. Our detailed study of the transport properties of optimally doped SmFeAs(O,F) single crystals reveals a promising combination of high (>2 x 10^6 A/cm^2) and nearly isotropic critical current densities along all crystal directions. This favorable intragrain current transport in SmFeAs(O,F), which shows the highest Tc of 54 K at ambient pressure, is a crucial requirement for possible applications. Essential in these experiments are 4-probe measurements on Focused Ion Beam (FIB) cut single crystals with sub-\mu\m^2 cross-section, with current along and perpendicular to the crystallographic c-axis and very good signal-to-noise ratio (SNR) in pulsed magnetic fields. The pinning forces have been characterized by scaling the magnetically measured "peak effect"

Observation of superconductivity at 30 K~46 K in AxFe2Se2 (A = Li, Na, Ba, Sr, Ca, Yb, and Eu)

New iron selenide superconductors by intercalating smaller-sized alkali metals (Li, Na) and alkaline earths using high-temperature routes have been pursued ever since the discovery of superconductivity at about 30 K in KFe2Se2, but all have failed so far. Here we demonstrate that a series of superconductors with enhanced Tc=30~46 K can be obtained by intercalating metals, Li, Na, Ba, Sr, Ca, Yb, and Eu in between FeSe layers by the ammonothermal method at room temperature. Analysis on their powder X-ray diffraction patterns reveals that all the main phases can be indexed based on body-centered tetragonal lattices with a~3.755-3.831 {\AA} while c~15.99-20.54 {\AA}. Resistivities show the corresponding sharp transitions at 45 K and 39 K for NaFe2Se2 and Ba0.8Fe2Se2, respectively, confirming their bulk superconductivity. These findings provide a new starting point for studying the properties of these superconductors and an effective synthetic route for the exploration of new superconductors as well.Comment: 22 pages, 5 figure

Where does the transport current flow in Bi2Sr2CaCu2O8 crystals?

A new measurement technique for investigation of vortex dynamics is introduced. The distribution of the transport current across a crystal is derived by a sensitive measurement of the self-induced magnetic field of the transport current. We are able to clearly mark where the flow of the transport current is characterized by bulk pinning, surface barrier, or a uniform current distribution. One of the novel results is that in BSCCO crystals most of the vortex liquid phase is affected by surface barriers resulting in a thermally activated apparent resistivity. As a result the standard transport measurements in BSCCO do not probe the dynamics of vortices in the bulk, but rather measure surface barrier properties.Comment: 11 pages, 4 figures, accepted for publication in Natur

Discovery of microscopic electronic inhomogeneity in the high-Tc superconductor Bi2Sr2CaCu2O8+x

The parent compounds of the copper oxide high-Tc superconductors are unusual insulators. Superconductivity arises when they are properly doped away from stoichiometry1. In Bi2Sr2CaCu2O8+x, superconductivity results from doping with excess oxygen atoms, which introduce positive charge carriers (holes) into the CuO2 planes, where superconductivity is believed to originate. The role of these oxygen dopants is not well understood, other than the fact that they provide charge carriers. However, it is not even clear how these charges distribute in the CuO2 planes. Accordingly, many models of high-Tc superconductors simply assume that the charge carriers introduced by doping distribute uniformly, leading to an electronically homogeneous system, as in ordinary metals. Here we report the observation of an electronic inhomogeneity in the high-Tc superconductor Bi2Sr2CaCu2O8+x using scanning tunnelling microscopy/spectroscopy. This inhomogeneity is manifested as spatial variations in both the local density of states spectrum and the superconducting energy gap. These variations are correlated spatially and vary on a surprisingly short length scale of ~ 14 Angs. Analysis suggests that the inhomogeneity observed is a consequence of proximity to a Mott insulator resulting in poor screening of the charge potentials associated with the oxygen ions left behind in the BiO plane after doping. Hence this experiment is a direct probe of the local nature of the superconducting state, which is not easily accessible by macroscopic measurements.Comment: 6 pages, 4 figure

Emergent Rank-5 'Nematic' Order in URu2Si2

Novel electronic states resulting from entangled spin and orbital degrees of freedom are hallmarks of strongly correlated f-electron systems. A spectacular example is the so-called 'hidden-order' phase transition in the heavy-electron metal URu2Si2, which is characterized by the huge amount of entropy lost at T_{HO}=17.5K. However, no evidence of magnetic/structural phase transition has been found below T_{HO} so far. The origin of the hidden-order phase transition has been a long-standing mystery in condensed matter physics. Here, based on a first-principles theoretical approach, we examine the complete set of multipole correlations allowed in this material. The results uncover that the hidden-order parameter is a rank-5 multipole (dotriacontapole) order with 'nematic' E^- symmetry, which exhibits staggered pseudospin moments along the [110] direction. This naturally provides comprehensive explanations of all key features in the hidden-order phase including anisotropic magnetic excitations, nearly degenerate antiferromagnetic-ordered state, and spontaneous rotational-symmetry breaking.Comment: See the published version with more detailed discussion