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Search results for: AMFOTERYCYNA-B
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Vibrational properties and stability of FePt nanoalloys
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Ab initiocharacterization of magneticCuFeS2
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Electronic and lattice properties of noncentrosymmetric superconductors ThTSi (T=Co, Ir, Ni, and Pt)
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Lattice dynamics of CuAu-orderedCuInSe2
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Magnetically induced dynamical stability of a Fe monolayer on W(110)
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Electronic and dynamical properties of CeRh2As2 : Role of Rh2As2 layers and expected orbital order
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Ab initioheat capacity and atomic temperature factors of chalcopyrites
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Publisher's Note: Magnetically induced dynamical stability of a Fe monolayer on W(110) [Phys. Rev. B76, 205427 (2007)]
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Influence of local electron interactions on phonon spectrum in iron
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Mechanism of the phase transitions in MnAs
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Quenching effects in organic electroluminescence
PublicationWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Measuring quantum entanglement without prior state reconstruction.
PublicationWykazano, że w przypadku dwóch kubitów splątanie formowania może być mierzone bez rekonstrukcji stanu kwantowego.
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Superconductivity at 2.2 K in the layered oxypnictide La3Ni4P4O2
PublicationW pracy przedstawiamy odkrycie nowego, warstwowego, związku nadprzewodzącego La3Ni4P4O2.
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Stoichiometry, spin fluctuations, and superconductivity in LaNiPO
PublicationZostała przeprowadzone synteza trzech próbek LaNiOP o różnych, nominalnie, składach. Najważniejszym wnioskiem pracy jest odkrycie, że nadprzewodnictw w LaNiPO jest niszczone już przez deficyt ok. 5% lantanu.
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Magnetic properties of the garnet and glass forms of Mn3Al2Si3O12
PublicationPrezentujemy wyniki pomiarow podatności magnetycznej i ciepła właściwego dla Mn3Al2Si3O12 w formie krystalicznej i amorficznej. W ten sposób przeprowadzamy porównania stopnia magnetycznej frustracji dla obu form tego samego związku chemicznego.
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First-order magnetic transition in single-crystalline CaFe2As2 detected by 75As nuclear magnetic resonance
PublicationPrzedstawione są wyniki badań jądrowego rezonansu magnetycznego na 75As dla kryształów CaFe2As2. Wyniki wskazują, że strukturalne i magnetyczne przejścia w CaFe2As2 są silnie skorelowane i są pierwszego rodzaju.
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Insulator to correlated metal transition in V1−xMoxO2
PublicationDyskutowane jest przejście typu izolatro - metal w domieszkowanym atomami Molibdenu związku V1-xMoxO2. Prezentowany jest diagram fazowy.
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Hybridization-driven gap in U3Bi4Ni3: A 209Bi NMR/NQR study
PublicationZostały przeprowadzone badania jądrowego rezonansu magnetycznego (na jądrach 209Bi) na kryształach U3Bi4Ni3. U3Ni4Bi3 jest tzw. izolatorem typu Kondo.
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Electronic correlations in coherent transport through a two quantum dot system
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Thermodynamic and electromagnetic properties of hard-core charged bosons on a lattice
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Gauge-invariant theory of the Meissner effect in the lattice model of a superconductor with local pairing
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Linear and nonlinear Stark effect in a triangular molecule
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The influence of electron-electron and electron-phonon interactions on electron charge orderings in quasi-one-dimensional systems
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Collective modes of the extended Hubbard model with negativeUand arbitrary electron density
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Current rectification in molecular junctions produced by local potential fields
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Symmetry-controlled negative differential resistance effect in a triangular molecule
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Effective one-band Hamiltonian for the copper-oxygen plane in the superconducting copper oxides
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Canonical perturbation theory for inhomogeneous systems of interacting fermions
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Charge orderings and lattice distortions in complex TCNQ salts
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Hubbard operators approach to the transport in molecular junctions
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Human bone marrow as a tissue in post-mortem identification and determination of psychoactive Substances—Screening methodology
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Ultra-high performance liquid chromatographic determination of levofloxacin in human plasma and prostate tissue with use of experimental design optimization procedures
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Development and validation of GC–MS/MS method useful in diagnosing intestinal dysbiosis
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Influence of the extraction mode on the yield of some furanocoumarins from Pastinaca sativa fruits
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Noncentrosymmetric superconductor with a bulk three-dimensional Dirac cone gapped by strong spin-orbit coupling
PublicationThe layered, noncentrosymmetric heavy element PbTaSe2 is found to be superconducting. We report its electronic properties accompanied by electronic-structure calculations. Specific heat, electrical resistivity, and magnetic-susceptibility measurements indicate that PbTaSe2 is a moderately coupled, type-IIBCSsuperconductor (Tc = 3.72 K, Ginzburg–Landau parameter κ = 17) with an electron-phonon coupling constant of λep = 0.74. Electronic-structure...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublicationTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Charge density wave, enhanced mobility, and large nonsaturating magnetoresistance across the magnetic states of HoNiC2 and ErNiC2
PublicationWe report on magnetotransport and thermoelectric properties of two ternary carbides HoNiC2 and ErNiC2 hosting both charge density wave and long-range magnetic order. In the charge density wave state, both compounds show relatively large magnetoresistance MR ≈ 150% in HoNiC2 and ≈ 70%in ErNiC2 at a magnetic field of 9 T and temperature as low as 2 K. This positive field-linear magnetoresistance shows no signatures of saturation....
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublicationUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Quasi-one-dimensional exchange interactions and short-range magnetic correlations in CuTeO4
PublicationCuTeO4 has been proposed as a crystallographically distinct, yet electronic structure analog, of the superconducting cuprates. Here, we present a detailed characterization of the physical properties of CuTeO4 to address this proposal. Fitting of magnetic susceptibility data indicates unexpected quasi-one-dimensional, antiferromagnetic correlations at high temperature, with a nearest-neighbor Heisenberg exchange of 1=164(5) K....
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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 ( M = Sr, Ba)
PublicationIntermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure....
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Magnetic structure and properties of the S=5/2 triangular antiferromagnet - NaFeO2
PublicationWłaściwości magnetyczne związku NaFeO2 badane były za pomocą techniki dyfrakcji neutronowskiej i poprzez pomiar podatności magnetycznej.
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Rich magnetic phase diagram in the Kagome-staircase compound Mn3V2O8
PublicationNa podstawie pomiarów podatności magnetycznej i ciepła właściwego monokryształu Mn3V2O8 skonstruowano diagram fazowy. Właściwości magnetyczne związku są silnie anizotropowe.
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Local ordering of nano-structured Pt probed by multiple-scattering XAFS
PublicationW pracy przedstawiono wyniki analizy MS EXAFS krystalicznej platyny i nanostruktur platyny (klastry o rozmiarach od 1nm do 7nm). Rezultaty analizy masowej platyny (uwzględniające rozkłady dwu i trój-ciałowe) są zgodne z wcześniejszymi danymi strukturalnymi i wibracyjnymi i stały się podstawą do realistycznej analizy EXAFS nanocząstek Pt realizownej w połączeniu z wynikami pomiarów TEM, SEM i XRD. Badaniom poddano nanocząstki Pt...
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Effect of substituting Fe and Ru for Ni on the thermopower of MgCNi3
PublicationDyskutowany jest wpływ domieszkowania żelaza i rutenu w pozycje niklu w międzymetalicznym związku nadprzewodzącym MgCNi3, na wartość termosiły. Pomiar S(T) wskazuje, że nośnikami ładunków elektrycznych w MgCNi3 są elektrony, a domieszkowanie (Ru, Fe) wprowadza nośniki dziurowe. Nie stwierdzono wpływu momentu magnetycznego atomów Fe na wartość termosiły.
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Hybrid quantum-classical approach for atomistic simulation of metallic systems
PublicationThe learn-on-the-fly (LOTF) method [G. Csanyi et al., Phys. Rev. Lett. 93, 175503 (2004)] serves to seamlessly embed quantum-mechanical computations within a molecular-dynamics framework by continual local retuning of the potential's parameters so that it reproduces the quantum-mechanical forces. In its current formulation, it is suitable for systems where the interaction is short-ranged, such as covalently bonded semiconductors....
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Magnetism and structure of Li_xCoO2 and comparison to Na_xCoO2
PublicationW pracy dyskutowane są właściwości magnetyczne i strukturalne Li_xCoO2 dla 0.5< x< 1.0. Jon Co +4 znajduje się w stanie wysokospinowym w Li_xCoO2 dla zawartości litu od 0.94 do 1.00 i w stanie niskospinowym dla x od 0.50 do 0.78.
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Physical properties of the uranium ternary compounds U3Bi4M3 (M=Ni,Rh)
PublicationW pracy dyskutowany jest wzrost kryształów i właściwości fizyczne dwóch, nowych, izostrukturalnych związków U3Bi4Ni3 i U3Bi4Rh3. Pierwszy z nich jest nie-metalem, w drugim obserwowany jest tzw. ferromagnetyczny kwantowy punkt krytyczny.
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Microscopic 75^As NMR study of the effect of impurities on the first-order spin-density-wave transition in BaFe2As2
PublicationOpisane są wyniki badań NMR na 75^As w monokryształach i próbkach polikrystalicznych BaFe2As2. Zanieczyszczenia cyną wpływają na niskoenergetyczne fluktuacje spinowe i obniżają temperaturę krytyczną ze 138K do 85K.
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...