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Prediction of A 2 BX 4 metal-chalcogenide compounds via first-principles thermodynamics
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Detection of orbital fluctuations above the structural transition temperature in the iron pnictides and chalcogenides.
Abstract not provided
Correlated structural and electronic phase transformations in transition metal chalcogenide under high pressure
Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr{sub 2}S{sub 3}) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr{sub 2}S{sub 3} near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. The results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr{sub 2}S{sub 3} based applications under extreme conditions.
Piezochromism in the magnetic chalcogenide MnPS3
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Isostructural bridging diferrous chalcogenide cores [Fe II (μ-E)Fe II ] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series
Iron compounds containing a bridging oxo or sulfido moiety are ubiquitous in biological systems, but substitution with the heavier chalcogenides selenium and tellurium, however, is much rarer, with only a few examples reported to date. Here we show that treatment of the ferrous starting material [( tBu pyrpyrr 2 )Fe(OEt 2 )] (1-OEt 2 ) ( tBu pyrpyrr 2 = 3,5- t Bu 2 -bis(pyrrolyl)pyridine) with phosphine chalcogenide reagents E = PR 3 results in the neutral phosphine chalcogenide adduct series [( tBu pyrpyrr 2 )Fe(EPR 3 )] (E = O, S, Se; R = Ph; E = Te; R = t Bu) (1-E) without any electron transfer, whereas treatment of the anionic starting material [K] 2 [( tBu pyrpyrr 2 )Fe 2 (μ-N 2 )] (2-N 2 ) with the appropriate chalcogenide transfer source yields cleanly the isostructural ferrous bridging mono-chalcogenide ate complexes [K] 2 [( tBu pyrpyrr 2 )Fe 2 (μ-E)] (2-E) (E = O, S, Se, and Te) having significant deviation in the Fe–E–Fe bridge from linear in the case of E = O to more acute for the heaviest chalcogenide. All bridging chalcogenide complexes were analyzed using a variety of spectroscopic techniques, including 1 H NMR, UV-Vis electronic absorbtion, and 57 Fe Mössbauer. The spin-state and degree of communication between the two ferrous ions were probed via SQUID magnetometry, where it was found that all iron centers were high-spin (S = 2) Fe II , with magnetic exchange coupling between the Fe II ions. Magnetic studies established that antiferromagnetic coupling between the ferrous ions decreases as the identity of the chalcogen is tuned from O to the heaviest congener Te.
Electronic structure of the iron chalcogenide KFeAgTe2 revealed by angle-resolved photoemission spectroscopy
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Two new ternary lanthanide antimony chalcogenides: Yb{sub 4}Sb{sub 2}S{sub 11.25} and Tm{sub 4}Sb{sub 2}Se{sub 11.68} containing chalcogenide Q{sup 2-} and dichalcogenide (Q{sub 2}){sup 2-} anions
Dark red and dark brown crystals of Yb{sub 4}Sb{sub 2}S{sub 11.25} and Tm{sub 8}Sb{sub 4}Se{sub 11.68}, respectively, were obtained from the reaction of the elements in Sb{sub 2}Q{sub 3} (Q=S, Se) fluxes. Both non-stoichiometric compounds are orthorhombic and crystallize in the same space group Pnnm, with two formula units per unit cell (a=12.446(2), b=5.341(1), c=12.058(2) for sulfide and a=13.126(2), b=5.623(1), c=12.499(2) for the selenide). Their crystal structures are dominated by lanthanide-chalcogenide polyhedra (CN=7 and 8), which share corners, edges, triangular- and square-faces to form a three-dimensional framework embedding antinomy cations. The latter are coordinated by three sulfide anions with 5(1+2+2) secondary contacts forming basically infinite chains running along [0 1 0]. The chalcogens in both compounds form chalcogenide Q{sup 2-} and dichalcogenide (Q{sub 2}){sup 2-} anionic units. The optical analysis made on those compounds shows that both are semiconductors with band gap of 1.71 and 1.22 eV for Yb{sub 4}Sb{sub 2}S{sub 11.25} and Tm{sub 4}Sb{sub 2}Se{sub 11.75,} respectively. - Graphical Abstract: The crystal structure of Yb{sub 4}Sb{sub 2}S{sub 11} viewed along the [0 1 0]. Highlights: Black-Right-Pointing-Pointer Lanthanide chalcogenides. Black-Right-Pointing-Pointer Semiconductors. Black-Right-Pointing-Pointer Tunnel structures. Black-Right-Pointing-Pointer Lone-pair effects.
Bismuth chalcogenide compounds Bi2×3 (X=O, S, Se): Applications in electrochemical energy storage
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Dynamic Control of Optical Response in Layered Metal Chalcogenide Nanoplates
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Preparation of Cd/Pb Chalcogenide Heterostructured Janus Particles via Controllable Cation Exchange
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Orbital superconductivity, defects, and pinned nematic fluctuations in the doped iron chalcogenide FeSe 0.45 Te 0.55
We demonstrate that the differential conductance, dI/dV , measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe 0.45 Te 0.55 , possesses a series of characteristic features that allow one to extract the orbital structure of the superconducting gaps. This yields nearly isotropic superconducting gaps on the two hole-like Fermi surfaces, and a strongly anisotropic gap on the electron-like Fermi surface. Moreover, we show that the pinning of nematic fluctuations by defects can give rise to a dumbbell-like spatial structure of the induced impurity bound states, and explains the related C 2 -symmetry in the Fourier transformed differential conductance.
Experimental observation of incoherent-coherent crossover and orbital-dependent band renormalization in iron chalcogenide superconductors
The level of electronic correlation has been one of the key questions in understanding the nature of superconductivity. Among the iron-based superconductors, the iron chalcogenide family exhibits the strongest electron correlations. To gauge the correlation strength, we performed a systematic angle-resolved photoemission spectroscopy study on the iron chalcogenide series Fe 1+y Se x Te 1-x (0 < x < 0.59), a model system with the simplest structure. Our measurement reveals an incoherent-to-coherent crossover in the electronic structure as the selenium ratio increases and the system evolves from a weakly localized to a more itinerant state. Furthermore, we found that the effective mass of bands dominated by the d xy orbital character significantly decreases with increasing selenium ratio, as compared to the d xz /d yz orbital-dominated bands. The orbital-dependent change in the correlation level agrees with theoretical calculations on the band structure renormalization, and may help to understand the onset of superconductivity in Fe 1+y Se x Te 1-x .
Wild Band Edges: The Role of Bandgap Grading and Band-Edge Fluctuations in High-Efficiency Chalcogenide Devices
Band-edge effects - including grading, electrostatic fluctuations, bandgap fluctuations, and band tails - affect chalcogenide device efficiency. These effects now require more careful consideration as efficiencies increase beyond 20%. Several aspects of the relationships between band-edge phenomena and device performance for NREL absorbers are examined. For Cu(In, Ga)Se2 devices, recent increases in diffusion length imply changes to the optimum bandgap profile. The origin, impact, and modification of electrostatic and bandgap fluctuations are also discussed. The application of the same principles to devices based on CdTe, kesterites, and emerging absorbers (Cu2SnS3, CuSbS2), considering differences in materials properties, is examined.
Re-emerging superconductivity at 48;#8201;kelvin in iron chalcogenides
Pressure has an essential role in the production and control of superconductivity in iron-based superconductors. Substitution of a large cation by a smaller rare-earth ion to simulate the pressure effect has raised the superconducting transition temperature T{sub c} to a record high of 55 K in these materials. In the same way as T{sub c} exhibits a bell-shaped curve of dependence on chemical doping, pressure-tuned T{sub c} typically drops monotonically after passing the optimal pressure. Here we report that in the superconducting iron chalcogenides, a second superconducting phase suddenly re-emerges above 11.5 GPa, after the T{sub c} drops from the first maximum of 32 K at 1 GPa. The T{sub c} of the re-emerging superconducting phase is considerably higher than the first maximum, reaching 48.0-48.7 K for Tl{sub 0.6}Rb{sub 0.4}Fe{sub 1.67}Se{sub 2}, K{sub 0.8}Fe{sub 1.7}Se{sub 2} and K{sub 0.8}Fe{sub 1.78}Se{sub 2}.
Theory of Two-Magnon Raman Scattering in Iron Pnictides and Chalcogenides
Although the parent iron-based pnictides and chalcogenides are itinerant antiferromagnets, the use of local moment picture to understand their magnetic properties is still widespread. We study magnetic Raman scattering from a local moment perspective for various quantum spin models proposed for this new class of superconductors. These models vary greatly in the level of magnetic frustration and show a vastly different two-magnon Raman response. Light scattering by two-magnon excitations thus provides a robust and independent measure of the underlying spin interactions. In accord with other recent experiments, our results indicate that the amount of magnetic frustration in these systems may be small.
Giant Pressure-Driven Lattice Collapse Coupled with Intermetallic Bonding and Spin-State Transition in Manganese Chalcogenides
Abstract not provided
Designing New Metal Chalcogenide Nanoclusters through Atom-by-Atom Substitution
Not provided.