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- ItemCrystal Growth of the Quasi-2D Quarternary Compound AgCrP2S6 by Chemical Vapor Transport(2021) Selter, Sebastian; Shemerliuk, Yuliia; Büchner, Bernd; Aswartham, SaicharanWe report optimized crystal growth conditions for the quarternary compound AgCrP2S6 by chemical vapor transport. Compositional and structural characterization of the obtained crystals were carried out by means of energy-dispersive X-ray spectroscopy and powder X-ray diffraction. AgCrP2S6 is structurally closely related to the M2P2S6 family, which contains several compounds that are under investigation as 2D magnets. As-grown crystals exhibit a plate-like, layered morphology as well as a hexagonal habitus. AgCrP2S6 crystallizes in monoclinic symmetry in the space group P2/a (No. 13). The successful growth of large high-quality single crystals paves the way for further investigations of low dimensional magnetism and its anisotropies in the future and may further allow for the manufacturing of few-layer (or even monolayer) samples by exfoliation.
- ItemTuning Magnetic and Transport Properties in Quasi-2D (Mn1−xNix)2P2S6 Single Crystals(Basel : MDPI, 2021) Shemerliuk, Yuliia; Zhou, Yonghui; Yang, Zhaorong; Cao, Gang; Wolter, Anja U.; Büchner, Bernd; Aswartham, SaicharanWe report an optimized chemical vapor transport method to grow single crystals of (Mn1−xNix)2P2S6 where x = 0, 0.3, 0.5, 0.7, and 1. Single crystals up to 4 mm × 3 mm × 200 μm were obtained by this method. As-grown crystals are characterized by means of scanning electron microscopy and powder X-ray diffraction measurements. The structural characterization shows that all crystals crystallize in monoclinic symmetry with the space group C2/m (No. 12). We have further investigated the magnetic properties of this series of single crystals. The magnetic measurements of the all as-grown single crystals show long-range antiferromagnetic order along all principal crystallographic axes. Overall, the Néel temperature TN is non-monotonous; with increasing Ni2+ doping, the temperature of the antiferromagnetic phase transition first decreases from 80 K for pristine Mn2P2S6 (x = 0) up to x = 0.5 and then increases again to 155 K for pure Ni2P2S6 (x = 1). The magnetic anisotropy switches from out-of-plane to in-plane as a function of composition in (Mn1−xNix)2P2S6 series. Transport studies under hydrostatic pressure on the parent compound Mn2P2S6 evidence an insulator-metal transition at an applied critical pressure of ~22 GPa.
- ItemSynthesis and Physical Properties of Iridium-Based Sulfide Ca1−xIr4S6(S2) [x = 0.23–0.33](Basel : MDPI, 2022) Vogl, Michael; Valldor, Martin; Piening, Roman Boy; Efremov, Dmitri V.; Büchner, Bernd; Aswartham, SaicharanWe present the synthesis and characterization of the iridium-based sulfide Ca1−xIr4S6(S2). Quality and phase analysis were conducted by means of energy-dispersive X-ray spectroscopy (EDXS) and powder X-ray diffraction (XRD) techniques. Structure analysis reveals a monoclinic symmetry with the space group C 1 2/m 1 (No. 12), with the lattice constants a = 15.030 (3) Å, b = 3.5747 (5) Å and c = 10.4572 (18) Å. Both X-ray diffraction and EDXS suggest an off-stoichiometry of calcium, leading to the empirical composition Ca1−xIr4.0S6(S2) [x = 0.23–0.33]. Transport measurements show metallic behavior of the compound in the whole range of measured temperatures. Magnetic measurements down to 1.8 K show no long range order, and Curie–Weiss analysis yields θCW = −31.4 K, suggesting that the compound undergoes a magnetic state with short range magnetic correlations. We supplement our study with calculations of the band structure in the framework of the density functional theory.
- ItemElastoresistivity of Heavily Hole-Doped 122 Iron Pnictide Superconductors(Lausanne : Frontiers Media, 2022) Hong, Xiaochen; Sykora, Steffen; Caglieris, Federico; Behnami, Mahdi; Morozov, Igor; Aswartham, Saicharan; Grinenko, Vadim; Kihou, Kunihiro; Lee, Chul-Ho; Büchner, Bernd; Hess, ChristianNematicity in heavily hole-doped iron pnictide superconductors remains controversial. Sizeable nematic fluctuations and even nematic orders far from magnetic instability were declared in RbFe2As2 and its sister compounds. Here, we report a systematic elastoresistance study of a series of isovalent- and electron-doped KFe2As2 crystals. We found divergent elastoresistance on cooling for all the crystals along their [110] direction. The amplitude of elastoresistivity diverges if K is substituted with larger ions or if the system is driven toward a Lifshitz transition. However, we conclude that none of them necessarily indicates an independent nematic critical point. Instead, the increased nematicity can be associated with another electronic criticality. In particular, we propose a mechanism for how elastoresistivity is enhanced at a Lifshitz transition.
- ItemStrongly correlated superconductor with polytypic 3D Dirac points(Berlin : Springer Nature, 2020) Borisenko, Sergey; Bezguba, Volodymyr; Fedorov, Alexander; Kushnirenko, Yevhen; Voroshin, Vladimir; Sturza, Mihai; Aswartham, SaicharanTopological superconductors should be able to provide essential ingredients for quantum computing, but are very challenging to realize. Spin–orbit interaction in iron-based superconductors opens the energy gap between the p-states of pnictogen and d-states of iron very close to the Fermi level, and such p-states have been recently experimentally detected. Density-functional theory predicts existence of topological surface states within this gap in FeTe1−xSex making it an attractive candidate material. Here we use synchrotron-based angle-resolved photoemission spectroscopy and band structure calculations to demonstrate that FeTe1−xSex (x = 0.45) is a superconducting 3D Dirac semimetal hosting type-I and type-II Dirac points and that its electronic structure remains topologically trivial. We show that the inverted band gap in FeTe1−xSex can possibly be realized by further increase of Te content, but strong correlations reduce it to a sub-meV size, making the experimental detection of this gap and corresponding topological surface states very challenging, not to mention exact matching with the Fermi level. On the other hand, the p–d and d–d interactions are responsible for the formation of extremely flat band at the Fermi level pointing to its intimate relation with the mechanism of high-Tc superconductivity in IBS.
- ItemStrong surface termination dependence of the electronic structure of polar superconductor LaFeAsO revealed by nano-ARPES([London] : IOP, 2022) Jung, Sung Won; Rhodes, Luke C; Watson, Matthew D; Evtushinsky, Daniil V; Cacho, Cephise; Aswartham, Saicharan; Kappenberger, Rhea; Wurmehl, Sabine; Büchner, Bernd; Kim, Timur KThe electronic structures of the iron-based superconductors have been intensively studied by using angle-resolved photoemission spectroscopy (ARPES). A considerable amount of research has been focused on the LaFeAsO family, showing the highest transition temperatures, where previous ARPES studies have found much larger Fermi surfaces than bulk theoretical calculations would predict. The discrepancy has been attributed to the presence of termination-dependent surface states. Here, using photoemission spectroscopy with a sub-micron focused beam spot (nano-ARPES) we have successfully measured the electronic structures of both the LaO and FeAs terminations in LaFeAsO. Our data reveal very different band dispersions and core-level spectra for different surface terminations, showing that previous macro-focus ARPES measurements were incomplete. Our results give direct evidence for the surface-driven electronic structure reconstruction in LaFeAsO, including formation of the termination-dependent surface states at the Fermi level. This experimental technique, which we have shown to be very powerful when applied to this prototypical compound, can now be used to study various materials with different surface terminations.
- ItemDisorder-induced coupling of Weyl nodes in WTe2(2020) Sykora, Steffen; Schoop, Johannes; Graf, Lukas; Shipunov, Grigory; Morozov, Igor V.; Aswartham, Saicharan; Büchner, Bernd; Hess, Christian; Giraud, Romain; Dufouleur, JosephThe finite coupling between Weyl nodes due to residual disorder is investigated by magnetotransport studies in WTe2. The anisotropic scattering of quasiparticles is evidenced from classical and quantum transport measurements. A theoretical approach using the real band structure is developed in order to calculate the dependence of the scattering anisotropy with the correlation length of the disorder. A comparison between theory and experiments reveals a short correlation length in WTe2 (ξ∼5 nm). This result implies a significant coupling between Weyl nodes and other bands. Our study thus shows that a finite intercone scattering rate always exists in weakly disordered type-II Weyl semimetals, such as WTe2, which strongly suppresses topologically nontrivial properties.
- ItemSixfold fermion near the Fermi level in cubic PtBi2(Amsterdam : SciPost Foundation, 2021) Thirupathaiah, Setti; Kushnirenko, Yevhen; Koepernik, Klaus; Piening, Boy Roman; Büchner, Bernd; Aswartham, Saicharan; van den Brink, Jeroen; Borisenko, Sergey; Fulga, Ion CosmaWe show that the cubic compound PtBi2, is a topological semimetal hosting a sixfold band touching point in close proximity to the Fermi level. Using angle-resolved photoemission spectroscopy, we map the bandstructure of the system, which is in good agreement with results from density functional theory. Further, by employing a low energy effective Hamiltonian valid close to the crossing point, we study the effect of a magnetic field on the sixfold fermion. The latter splits into a total of twenty Weyl cones for a Zeeman field oriented in the diagonal, [111] direction. Our results mark cubic PtBi2, as an ideal candidate to study the transport properties of gapless topological systems beyond Dirac and Weyl semimetals.
- ItemHall-plot of the phase diagram for Ba(Fe1−xCox)2As2(London : Nature Publishing Group, 2016) Iida, Kazumasa; Grinenko, Vadim; Kurth, Fritz; Ichinose, Ataru; Tsukada, Ichiro; Ahrens, Eike; Pukenas, Aurimas; Chekhonin, Paul; Skrotzki, Werner; Teresiak, Angelika; Hühne, Ruben; Aswartham, Saicharan; Wurmehl, Sabine; Erbe, Manuela; Hänisch, Jens; Holzapfel, Bernhard; Drechsler, Stefan-Ludwig; Efremov, Dmitri V.The Hall effect is a powerful tool for investigating carrier type and density. For single-band materials, the Hall coefficient is traditionally expressed simply by , where e is the charge of the carrier, and n is the concentration. However, it is well known that in the critical region near a quantum phase transition, as it was demonstrated for cuprates and heavy fermions, the Hall coefficient exhibits strong temperature and doping dependencies, which can not be described by such a simple expression, and the interpretation of the Hall coefficient for Fe-based superconductors is also problematic. Here, we investigate thin films of Ba(Fe1−xCox)2As2 with compressive and tensile in-plane strain in a wide range of Co doping. Such in-plane strain changes the band structure of the compounds, resulting in various shifts of the whole phase diagram as a function of Co doping. We show that the resultant phase diagrams for different strain states can be mapped onto a single phase diagram with the Hall number. This universal plot is attributed to the critical fluctuations in multiband systems near the antiferromagnetic transition, which may suggest a direct link between magnetic and superconducting properties in the BaFe2As2 system.