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1.
Molecules ; 27(9)2022 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-35566013

RESUMO

Ternary potassium-iron sulfide, KFeS2, belongs to the family of highly anisotropic quasi-one-dimensional antiferromagnets with unusual "anti-Curie-Weiss" susceptibility, quasi-linearly growing with a rising temperature up to 700 K, an almost vanishing magnetic contribution to the specific heat, drastically reduced magnetic moment, etc. While some of the measurements can be satisfactorily described, the deficiency of the entropy changes upon the magnetic transition and the spin state of the iron ion remains a challenge for the further understanding of magnetism. In this work, high-quality single-crystalline samples of KFeS2 were grown by the Bridgman method, and their stoichiometry, crystal structure, and absence of alien magnetic phases were checked, utilizing wave-length dispersive X-ray electron-probe microanalysis, powder X-ray diffraction, and 57Fe Mössbauer spectroscopy, respectively. An ab initio approach was developed to calculate the thermodynamic properties of KFeS2. The element-specific phonon modes and their density of states (PDOS) were calculated applying the density functional theory in the DFT + U version, which explicitly takes into account the on-site Coulomb repulsion U of electrons and their exchange interaction J. The necessary calibration of the frequency scale was carried out by comparison with the experimental iron PDOS derived from the inelastic nuclear scattering experiment. The infrared absorption measurements confirmed the presence of two high-frequency peaks consistent with the calculated PDOS. The calibrated PDOS allowed the calculation of the lattice contribution to the specific heat of KFeS2 by direct summation over the phonon modes without approximations and adjustable parameters. The temperature-dependent magnetic specific heat evaluated by subtraction of the calculated phonon contribution from the experimental specific heat provides a lower boundary for estimating the reduced spin state of the iron ion.

2.
J Phys Chem Lett ; 13(7): 1681-1686, 2022 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-35148106

RESUMO

Spin-orbit quartet ground states are associated with rich phenomenology, ranging from multipolar phases in f1 rare-earth borides to magnetism emerging through covalency and vibronic couplings in d1 transition-metal compounds. The latter effect has been studied since the 1960s on t2g1 octahedral ML6 units in both molecular complexes and extended solid-state lattices. Here we analyze the Jeff = 3/2 quartet ground state of larger cubane-like M4L4 entities in lacunar spinels, composed of transition-metal (M) tetrahedra caged by chalcogenide ligands (L). These represent a unique platform where spin-orbit coupling acts on molecular-like, delocalized t2 orbitals. Using quantum chemical methods, we pin down the interplay of spin-orbit couplings in such a setting and many-body physics related to other molecular-like single-electron levels, both below and above the reference t21. We provide a different interpretation of resonant inelastic X-ray scattering data on GaTa4Se8 and, by comparing magnetic susceptibility data with calculated g factors, valuable insights into the important role of vibronic couplings.

3.
Adv Mater ; 34(11): e2108770, 2022 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-35032408

RESUMO

Magnetic skyrmions, vortex-like topological spin textures, have attracted much interest in a wide range of research fields from fundamental physics to spintronics applications. Recently, growing attention is also paid to antiskyrmions emerging with opposite topological charge in non-centrosymmetric magnets with D2d or S4 symmetry. In these magnets, complex interplay among anisotropic Dzyaloshinskii-Moriya interaction, uniaxial magnetic anisotropy, and magnetic dipolar interactions generates various magnetic textures. However, the precise role of these magnetic interactions in stabilizing antiskyrmions remains to be elucidated. In this work, the uniaxial magnetic anisotropy of schreibersite (Fe,Ni)3 P with S4 symmetry is controlled by doping and its impact on the stability of antiskyrmions is investigated. The authors' magnetometry study, supported by ferromagnetic resonance spectroscopy, shows that the variation of the Ni content and slight doping with 4d transition metals considerably change the magnetic anisotropy. In particular, doping with Pd induces easy-axis anisotropy, giving rise to formation of antiskyrmions, while a temperature-induced spin reorientation is observed in an Rh-doped compound. In combination with Lorentz transmission electron microscopy and micromagnetic simulations, the stability of antiskyrmion as functions of uniaxial anisotropy and demagnetization energy is quantitatively analyzed, and demonstrated that subtle balance between them is necessary to stabilize the antiskyrmions.

4.
Inorg Chem ; 56(20): 12337-12347, 2017 Oct 16.
Artigo em Inglês | MEDLINE | ID: mdl-28960968

RESUMO

We report the synthesis of an air-stable nonporous coordination compound based on iron(II) centers, formate anions, and a 4,4'-bipyrazole (H2BPZ) ligand. Upon thermal treatment, a porous metal-organic framework (MOF) formed due to decomposition of the incorporated formate anions. This decomposition step and the following structural changes constituted a single-crystal to single-crystal transformation. The resulting [Fe(BPZ)] framework contained tetrahedrally coordinated iron(II) metal centers. The framework was sensitive toward oxidation by molecular oxygen even at temperatures of 183 K, as followed by oxygen sorption measurements and a color change from colorless to metallic black. The semiconductor properties of the oxidized material were studied by diffuse reflectance UV/vis/NIR spectroscopy and dielectric spectroscopy.

5.
Beilstein J Nanotechnol ; 7: 957-69, 2016.
Artigo em Inglês | MEDLINE | ID: mdl-27547613

RESUMO

BACKGROUND: In nanoscale layered S/F1/N/F2/AF heterostructures, the generation of a long-range, odd-in-frequency spin-projection one triplet component of superconductivity, arising at non-collinear alignment of the magnetizations of F1 and F2, exhausts the singlet state. This yields the possibility of a global minimum of the superconducting transition temperature T c, i.e., a superconducting triplet spin-valve effect, around mutually perpendicular alignment. RESULTS: The superconducting triplet spin valve is realized with S = Nb a singlet superconductor, F1 = Cu41Ni59 and F2 = Co ferromagnetic metals, AF = CoO x an antiferromagnetic oxide, and N = nc-Nb a normal conducting (nc) non-magnetic metal, which serves to decouple F1 and F2. The non-collinear alignment of the magnetizations is obtained by applying an external magnetic field parallel to the layers of the heterostructure and exploiting the intrinsic perpendicular easy-axis of the magnetization of the Cu41Ni59 thin film in conjunction with the exchange bias between CoO x and Co. The magnetic configurations are confirmed by superconducting quantum interference device (SQUID) magnetic moment measurements. The triplet spin-valve effect has been investigated for different layer thicknesses, d F1, of F1 and was found to decay with increasing d F1. The data is described by an empirical model and, moreover, by calculations using the microscopic theory. CONCLUSION: The long-range triplet component of superconducting pairing is generated from the singlet component mainly at the N/F2 interface, where the amplitude of the singlet component is suppressed exponentially with increasing distance d F1. The decay length of the empirical model is found to be comparable to twice the electron mean free path of F1 and, thus, to the decay length of the singlet component in F1. Moreover, the obtained data is in qualitative agreement with the microscopic theory, which, however, predicts a (not investigated) breakdown of the triplet spin-valve effect for d F1 smaller than 0.3 to 0.4 times the magnetic coherence length, ξF1.

6.
J Am Chem Soc ; 126(3): 797-807, 2004 Jan 28.
Artigo em Inglês | MEDLINE | ID: mdl-14733554

RESUMO

Arrays of highly ordered Zn(1-x)MnxS quantum wires with x ranging from 0.01 to 0.3 and with lateral dimensions of 3, 6, and 9 nm were synthesized within mesoporous SiO2 host structures of the MCM-41 and SBA-15 type. The hexagonal symmetry of these arrays (space group p6m) and the high degree of order was confirmed by X-ray diffraction and transmission electron microscopy (TEM) studies. Physisorption measurements show the progressive filling of the pores of the SiO2 host structures, while TEM and Raman studies reveal the wire-like character of the incorporated Zn(1-x)MnxS nanostructures. X-ray absorption near-edge structure, extended X-ray absorption fine structure, photoluminescence excitation (PLE), and electron paramagnetic resonance studies confirm the good crystalline quality of the incorporated Zn(1-x)MnxS guest species and, in particular, that the Mn2+ ions are randomly distributed and are situated on tetrahedrally coordinated cation sites of the Zn(1-x)MnxS wires for all x up to 0.3. The amount of Mn2+ ions loosely bound to the surface of the Zn(1-x)MnxS nanowires is less than 4% of the total Mn content even for the 3 nm nanostructures up to the highest Mn content of x = 0.3. The effects of the reduction of the lateral dimensions on electronic properties of the diluted magnetic semiconductor were studied by PLE spectroscopy. Due to the quantum confinement of the excitons in the wires an increase of the direct band gap with decreasing particle size is observed.

7.
Phytochemistry ; 63(6): 687-91, 2003 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-12842141

RESUMO

Previous work on the composition of the extracellular matrix of germlings of the plant pathogenic fungus Botrytis cinerea demonstrated the presence of carbohydrate, protein, and simple lipids; which, together, comprised 50-60% of the dry weight. Here we show that most of the remaining mass of the extracellular matrix consists of a chemically inert dark pigment with the electron paramagnetic resonance characteristics of a melanin. Scanning electron micrographs of the purified pigment, and transmission electron micrographs of thin sections made using the pigment indicate that it has a filamentous structure. We conclude that melanin is an important component of the extracellular matrix of germlings of B. cinerea. This is the first report of a melanin present in the extracellular matrix of a plant pathogenic fungus.


Assuntos
Botrytis/química , Matriz Extracelular/química , Melaninas/análise , Botrytis/ultraestrutura , Espectroscopia de Ressonância de Spin Eletrônica , Melaninas/química
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