Many antibiotics, chemotherapeutics, crop protection agents and food preservatives originate from molecules produced by bacteria, fungi or plants. In recent years, genome mining methodologies have been widely adopted to identify and characterize the biosynthetic gene clusters encoding the production of such compounds. Since 2011, the ‘antibiotics and secondary metabolite analysis shell—antiSMASH’ has assisted researchers in efficiently performing this, both as a web server and a standalone tool. Here, we present the thoroughly updated antiSMASH version 4, which adds several novel features, including prediction of gene cluster boundaries using the ClusterFinder method or the newly integrated CASSIS algorithm, improved substrate specificity prediction for non-ribosomal peptide synthetase adenylation domains based on the new SANDPUMA algorithm, improved predictions for terpene and ribosomally synthesized and post-translationally modified peptides cluster products, reporting of sequence similarity to proteins encoded in experimentally characterized gene clusters on a per-protein basis and a domain-level alignment tool for comparative analysis of trans-AT polyketide synthase assembly line architectures. Additionally, several usability features have been updated and improved. Together, these improvements make antiSMASH up-to-date with the latest developments in natural product research and will further facilitate computational genome mining for the discovery of novel bioactive molecules.

We present a comprehensive study of the evolution of the nematic electronic structure of FeSe using high resolution angle-resolved photoemission spectroscopy (ARPES), quantum oscillations in the normal state and elastoresistance measurements. Our high resolution ARPES allows us to track the Fermi surface deformation from four-fold to two-fold symmetry across the structural transition at ~87 K which is stabilized as a result of the dramatic splitting of bands associated with dxz and dyz character. The low temperature Fermi surface is that a compensated metal consisting of one hole and two electron bands and is fully determined by combining the knowledge from ARPES and quantum oscillations. A manifestation of the nematic state is the significant increase in the nematic susceptibility as approaching the structural transition that we detect from our elastoresistance measurements on FeSe. The dramatic changes in electronic structure cannot be explained by the small lattice effects and, in the absence of magnetic fluctuations above the structural transition, points clearly towards an electronically driven transition in FeSe stabilized by orbital-charge ordering.Comment: Latex, 8 pages, 4 figure

Fermi systems in the cross-over regime between weakly coupled Bardeen-Cooper-Schrieffer (BCS) and strongly coupled Bose-Einstein-condensate (BEC) limits are among the most fascinating objects to study the behavior of an assembly of strongly interacting particles. The physics of this cross-over has been of considerable interest both in the fields of condensed matter and ultracold atoms. One of the most challenging issues in this regime is the effect of large spin imbalance on a Fermi system under magnetic fields. Although several exotic physical properties have been predicted theoretically, the experimental realization of such an unusual superconducting state has not been achieved so far. Here we show that pure single crystals of superconducting FeSe offer the possibility to enter the previously unexplored realm where the three energies, Fermi energy e F , superconducting gap Δ, and Zeeman energy, become comparable. Through the superfluid response, transport, thermoelectric response, and spectroscopic-imaging scanning tunneling microscopy, we demonstrate that e F of FeSe is extremely small, with the ratio Δ=e F ∼ 1(∼ 0:3) in the electron (hole) band. Moreover, thermal-conductivity measurements give evidence of a distinct phase line below the upper critical field, where the Zeeman energy becomes comparable to e F and Δ. The observation of this field-induced phase provides insights into previously poorly understood aspects of the highly spin-polarized Fermi liquid in the BCS-BEC cross-over regime.BCS-BEC cross-over | Fermi energy | quasiparticle interference | iron-based superconductors | exotic superconducting phase S uperconductivity in most metals is well explained by the weak-coupling Bardeen-Cooper-Schrieffer (BCS) theory, where the pairing instability arises from weak attractive interactions in a degenerate fermionic system. In the opposite limit of Bose-Einstein condensate (BEC), composite bosons consisting of strongly coupled fermions condense into a coherent quantum state (1, 2). In BCS superconductors, the superconducting transition temperature is usually several orders of magnitude smaller than the Fermi temperature, T c =T F = 10 −5 -10 −4 , whereas in the BEC limit T c =T F is of the order of 10 −1 . Even in the high-T c cuprates, T c =T F is merely of the order of 10 −2 at optimal doping. Of particular interest is the BCS-BEC cross-over regime with intermediate coupling strength. In this regime the size of interacting pairs (∼ ξ), which is known as the coherence length, becomes comparable to the average distance between particles (∼ 1=k F ), i.e., k F ξ ∼ 1 (3-5), where k F is the Fermi momentum. This regime is expected to have the highest values of T c =T F = 0:1 − 0:2 and Δ=« F ∼ 0:5 ever observed in any fermionic superfluid.One intriguing issue concerns the role of spin imbalance: whether it will lead to a strong modification of the properties of the Fermi system in the cross-over regime. This problem has been of considerable interest not only in the context of superconductivity but also in ultraco...

We study superconducting FeSe (T c = 9 K) exhibiting the tetragonal-orthorhombic structural transition (T s ~ 90 K) without any antiferromagnetic ordering, by utilizing angle-resolved photoemission spectroscopy. In the detwinned orthorhombic state, the energy position of the d yz orbital band at the Brillouin zone corner is 50 meV higher than that of d xz , indicating the orbital order similar to NaFeAs and BaFe 2 As 2 families. Evidence of orbital order also appears in the hole bands at the Brillouin zone center. Precisely measured temperature dependence using strain-free samples shows that the onset of the orbital ordering (T o ) occurs very close to T s , thus suggesting that the electronic nematicity above T s is considerably weaker in FeSe compared to BaFe 2 As 2 family.

Detailed knowledge of the phase diagram and the nature of the competing magnetic and superconducting phases is imperative for a deeper understanding of the physics of iron-based superconductivity. Magnetism in the iron-based superconductors is usually a stripe-type spin-density-wave, which breaks the tetragonal symmetry of the lattice, and is known to compete strongly with superconductivity. Recently, it was found that in some systems an additional spin-density-wave transition occurs, which restores this tetragonal symmetry, however, its interaction with superconductivity remains unclear. Here, using thermodynamic measurements on Ba1−xKxFe2As2 single crystals, we show that the spin-density-wave phase of tetragonal symmetry competes much stronger with superconductivity than the stripe-type spin-density-wave phase, which results in a novel re-entrance of the latter at or slightly below the superconducting transition.

The coupling between superconductivity and othorhombic distortion is studied in vapor-grown FeSe single crystals using high-resolution thermal-expansion measurements. In contrast to the Ba122-based (Ba122) superconductors, we find that superconductivity does not reduce the orthorhombicity below Tc. Instead we find that superconductivity couples strongly to the in-plane area, which explains the large hydrostatic pressure effects. We discuss our results in light of the spinnematic scenario and argue that FeSe has many features quite different from the typical Fe-based superconductors.

We have observed Shubnikov-de Haas oscillations in FeSe. The Fermi surface deviates significantly from predictions of band-structure calculations and most likely consists of one electron and one hole thin cylinder. The carrier density is in the order of 0.01 carriers/ Fe, an order-of-magnitude smaller than predicted. Effective Fermi energies as small as 3.6 meV are estimated. These findings call for elaborate theoretical investigations incorporating both electronic correlations and orbital ordering.

We report the temperature evolution of the detailed electronic band structure in FeSe singlecrystals measured by angle-resolved photoemission spectroscopy (ARPES), including the degeneracy removal of the dxz and dyz orbitals at the Γ/Z and M points, and the orbital-selective hybridization between the dxy and d xz/yz orbitals. The temperature dependences of the splittings at the Γ/Z and M points are different, indicating that they are controlled by different order parameters. The splitting at the M point is closely related to the structural transition and is attributed to orbital ordering defined on Fe-Fe bonds with a d-wave form in the reciprocal space that breaks the rotational symmetry. In contrast, the band splitting at the Γ/Z points remains at temperature far above the structural transition. Although the origin of this latter splitting remains unclear, our experimental results exclude the previously proposed ferro-orbital ordering scenario.