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Search results for: b-lactam
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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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Time reversal invariant single-gap superconductivity with upper critical field larger than the Pauli limit in NbIr2B2
PublicationRecently, compounds with noncentrosymmetric crystal structure have attracted much attention for providing a rich playground in search for unconventional superconductivity. NbIr2B2 is a new member to this class of materials harboring superconductivity below Tc = 7.3(2) K and a very high upper critical field that exceeds Pauli limit. Here we report on muon spin rotation (μSR) experiments probing the temperature and field dependence...
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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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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Correlation between charge density waves and antiferromagnetism in Nd1−xGdxNiC2 solid solutions
PublicationWe report a study on the evolution of a charge density wave and antiferromagnetism in the series of the polycrystalline solid solution Nd1−xGdxNiC2 (0 _ x _ 1) by means of magnetic and transport properties measurements. The experimental results reveal the violation of the de Gennes law and a strong correlation between the Peierls, Néel, and Curie-Weiss temperatures, which strongly suggests a cooperative interaction between the...
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Charge density wave and crystalline electric field effects in TmNiC2
PublicationSingle crystals of TmNiC2 were grown by the optical floating-zone technique and were investigated by x-ray diffraction (XRD), thermal expansion, electrical resistivity, specific heat, and magnetic susceptibility measurements. Single-crystal XRD reveals the formation of a commensurate charge density wave (CDW) characterized by a CDW modulation vector q2c = (0.5, 0.5, 0.5), which is accompanied by a symmetry change from the orthorhombic...
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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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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 ofLixCoO2and comparison toNaxCoO2
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Bulk properties and electronic structure of PuFeAsO
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Localized anharmonic rattling of Al atoms in VAl10.1
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Superconductivity in the Rh-based Heusler familyMRh2Sn
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Rich magnetic phase diagram of the kagome-staircase compoundMn3V2O8
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Nanometer structural columns and frustration of magnetic ordering inNb12O29
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Superconductivity in noncentrosymmetricMg10Ir19B16
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First-order magnetic transition in single-crystallineCaFe2As2detected byA75snuclear magnetic resonance
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Hybridization-driven gap inU3Bi4Ni3: AB209iNMR/NQR study
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Superconductivity at 2.2 K in the layered oxypnictideLa3Ni4P4O2
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Superconductivity in the Heusler family of intermetallics
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Effect of substituting Fe and Ru for Ni on the thermopower ofMgCNi3
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Superconductivity in the Cu(Ir1−xPtx)2Se4spinel
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Carbon isotope effect in superconductingMgCNi3
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Stoichiometry, spin fluctuations, and superconductivity in LaNiPO
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Physical properties of the uranium ternary compoundsU3Bi4M3(M=Ni,Rh)
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Insulator to correlated metal transition inV1−xMoxO2
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Possible singlet-to-triplet pairing transition inNaxCoO2·yH2O
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Magnetic properties of the garnet and glass forms ofMn3Al2Si3O12
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Retraction: Superconductivity in the Rh-based Heusler familyMRh2Sn[Phys. Rev. B82, 134520 (2010)]
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Magnetic structure and properties of theS=5∕2triangular antiferromagnetα−NaFeO2
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Effect of Ru substitution for Ni on the superconductivity inMgCNi3−xRux
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Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru
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Negative thermal expansion and antiferromagnetism in the actinide oxypnictide NpFeAsO
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Muon spin rotation/relaxation measurements of the noncentrosymmetric superconductorMg10Ir19B16
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MicroscopicA75sNMR study of the effect of impurities on the first-order spin-density-wave transition inBaFe2As2
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Effect ofB11substitution on the superconductivity ofMgCNi3
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