871 research outputs found
Spin electric effects in molecular antiferromagnets
Molecular nanomagnets show clear signatures of coherent behavior and have a
wide variety of effective low-energy spin Hamiltonians suitable for encoding
qubits and implementing spin-based quantum information processing. At the
nanoscale, the preferred mechanism for control of quantum systems is through
application of electric fields, which are strong, can be locally applied, and
rapidly switched. In this work, we provide the theoretical tools for the search
for single molecule magnets suitable for electric control. By group-theoretical
symmetry analysis we find that the spin-electric coupling in triangular
molecules is governed by the modification of the exchange interaction, and is
possible even in the absence of spin-orbit coupling. In pentagonal molecules
the spin-electric coupling can exist only in the presence of spin-orbit
interaction. This kind of coupling is allowed for both and
spins at the magnetic centers. Within the Hubbard model, we find a relation
between the spin-electric coupling and the properties of the chemical bonds in
a molecule, suggesting that the best candidates for strong spin-electric
coupling are molecules with nearly degenerate bond orbitals. We also
investigate the possible experimental signatures of spin-electric coupling in
nuclear magnetic resonance and electron spin resonance spectroscopy, as well as
in the thermodynamic measurements of magnetization, electric polarization, and
specific heat of the molecules.Comment: 31 pages, 24 figure
Magnetic ground state and 2D behavior in pseudo-Kagome layered system Cu3Bi(SeO3)2O2Br
Anisotropic magnetic properties of a layered kagome-like system
Cu3Bi(SeO3)2O2Br have been studied by bulk magnetization and magnetic
susceptibility measurements as well as powder and single-crystal neutron
diffraction. At T_N = 27.4 K the system develops an alternating
antiferromagnetic order of (ab) layers, which individually exhibit canted
ferrimagnetic moment arrangement, resulting from the competing ferro- and
antiferro-magnetic intralayer exchange interactions. A magnetic field B_C ~ 0.8
T applied along the c axis (perpendicular to the layers) triggers a
metamagnetic transition, when every second layer flips, i.e., resulting in a
ferrimagnetic structure. Significantly higher fields are required to rotate the
ferromagnetic component towards the b axis (~7 T) or towards the a axis (~15
T). The estimates of the exchange coupling constants and features indicative of
an XY character of this quasi-2D system are presented.Comment: 7 pages, 6 figures, final versio
A Theoretical Approach for Computing Magnetic Anisotropy in Single Molecule Magnets
We present a theoretical approach to calculate the molecular magnetic
anisotropy parameters, and for single molecule magnets in any
eigenstate of the exchange Hamiltonian, treating the anisotropy Hamiltonian as
a perturbation. Neglecting inter-site dipolar interactions, we calculate
molecular magnetic anisotropy in a given total spin state from the known
single-ion anisotropies of the transition metal centers. The method is applied
to and in their ground and first few excited eigenstates, as
an illustration. We have also studied the effect of orientation of local
anisotropies on the molecular anisotropy in various eigenstates of the exchange
Hamiltonian. We find that, in case of , the molecular anisotropy
depends strongly on the orientation of the local anisotropies and the spin of
the state. The value of is almost independent of the
orientation of the local anisotropy of the core ions. In the case of
, the dependence of molecular anisotropy on the spin of the state in
question is weaker.Comment: 8 pages, 12 figures, 2 table
Spin-Triplet Excitons in the Gapped Antiferromagnet BaCuSiO: Electron Paramagnetic Resonance Studies
BaCuSiO, a quantum antiferromagnet with a double-layer
structure of Cu ions in a distorted planar-rectangular coordination and
with a dimerized spin singlet ground state, is studied by means of the electron
paramagnetic resonance technique. It is argued that multiple absorptions
observed at low temperatures are intimately related to a thermally-activated
spin-triplet exciton superstructure. Analysis of the angular dependence of
exciton modes in BaCuSiO allows us to accurately estimate anisotropy
parameters. In addition, the temperature dependence of EPR intensity and
linewidth is discussed.Comment: Submitted to Phys. Rev.
Single-ion and exchange anisotropy effects and multiferroic behavior in high-symmetry tetramer single molecule magnets
We study single-ion and exchange anisotropy effects in equal-spin
tetramer single molecule magnets exhibiting , , ,
, , or ionic point group symmetry. We first write the
group-invariant quadratic single-ion and symmetric anisotropic exchange
Hamiltonians in the appropriate local coordinates. We then rewrite these local
Hamiltonians in the molecular or laboratory representation, along with the
Dzyaloshinskii-Moriay (DM) and isotropic Heisenberg, biquadratic, and
three-center quartic Hamiltonians. Using our exact, compact forms for the
single-ion spin matrix elements, we evaluate the eigenstate energies
analytically to first order in the microscopic anisotropy interactions,
corresponding to the strong exchange limit, and provide tables of simple
formulas for the energies of the lowest four eigenstate manifolds of
ferromagnetic (FM) and anitiferromagnetic (AFM) tetramers with arbitrary .
For AFM tetramers, we illustrate the first-order level-crossing inductions for
, and obtain a preliminary estimate of the microscopic
parameters in a Ni from a fit to magnetization data.
Accurate analytic expressions for the thermodynamics, electron paramagnetic
resonance absorption and inelastic neutron scattering cross-section are given,
allowing for a determination of three of the microscopic anisotropy
interactions from the second excited state manifold of FM tetramers. We also
predict that tetramers with symmetries and should exhibit both
DM interactions and multiferroic states, and illustrate our predictions for
.Comment: 30 pages, 14 figures, submitted to Phys. Rev.
Experimental study of CO2 sequestration by ECBM recovery: the case of Sulcis coal.
An ECBM (Enhanced Coal Bed Methane) feasibility study started for the Sulcis Coal Province (SW Sardinia, Italy) in December 2004: geochemical, structural-geology, stratigraphic and reservoir engineering considerations are discussed. The first newly gathered experimental data are discussed, including: fluid geochemistry (major and minor elements, dissolved gases, C and He isotopic ratios) of the reservoir, coal composition and experimental data on CO2/CH4 adsorption on coal. A MapInfo GIS structure was built up including stratigraphical, geo-structural, hydrogeochemical, coal-compositional and environmental impact information as well as the CO2 sources location and typology. Even if these data could be preliminary with respect to the coal characteritics effectively located at the future injection depth, they highlighted both the challenging positive and negative aspects of the Sulcis Coal Province versus the exploitation of the ECBM technique. The most important objective of this phase I of the project is the selection of the best Sulcis ECBM test-pilot site, which will be followed (Phase II) by the choice of a scaled up site and possibly by a future network (Phase III). These phases are foreseen to be accompanied by the selection of progressively added CO2 industrial sources, to be used within the project economic spreadsheet model, actually in evolution.
CO2 geological storage and CH4 production potentials in Sulcis have been grossly evaluated as a whole, in the frame of the Sardinia region CO2 sources, including the coal-fired power plants, both existent and foreseen (hundreds of millions of tonns of CO2 are possible to be stored underground in the next decades). The reservoir estimates, both for the CO2 injection and for the CH4 production are clearly involving to start the test-site phase exploitation, in the frame of an auspicabile international operative project
The anti-ageing and whitening potential of a cosmetic serum containing 3-o-ethyl-l-ascorbic acid
Skin ageing has many manifestations such as wrinkles, dryness, hyperpigmentation, and uneven skin tone. Extrinsic and intrinsic factors, especially solar ultraviolet light (UVB), contribute to skin ageing; its main features are brown spots, alterations in melanin pigmentation, and a decrease in collagen and hyaluronic acid linked to oxidative stress. Several studies showed that topical products containing ingredients with antioxidant activity can reduce oxidative damage; to provide a maximum anti-ageing effect to the skin, topical products can combine various ingredients. C-SHOT SERUM contains a combination of two molecules with a proven anti-ageing activity: a high percentage (30%) of a more stable vitamin C derivative, 3-O-ethyl-L-ascorbic acid, and lactic acid (1%). The product showed a high biocompatibility, assessed through an MTT assay on keratinocytes and on Reconstructed Human Epidermis (RHE, SkinEthic); the anti-ageing activity was demonstrated on human dermal fibroblasts and keratinocytes by a statistically significant increase in collagen production and a reduction of a UVB-induced DNA damage marker (\u3b3-H2AX histone), indicating DNA protection. Moreover, a depigmenting activity, shown by a highly significant decrease in melanin content on treated Reconstructed Human Pigmented Epidermis (RHPE), was assessed. According to the data of our study, the tested product contrasts the effect of skin ageing and irregular pigmentation due to the physiological decline of the skin
Spin dynamics in the low-dimensional magnet TiOCl
We present detailed ESR investigations on single crystals of the
low-dimensional quantum magnet TiOCl. The anisotropy of the g-factor indicates
a stable orbital configuration below room temperature, and allows to estimate
the energy of the first excited state as 0.3(1) eV ruling out a possible
degeneracy of the orbital ground state. Moreover, we discuss the possible spin
relaxation mechanisms in TiOCl and analyze the angular and temperature
dependence of the linewidth up to 250 K in terms of anisotropic exchange
interactions. Towards higher temperatures an exponential increase of the
linewidth is observed, indicating an additional relaxation mechanism.Comment: 10 pages, 8 figures; accepted for publication in Phys. Rev.
Field dependent anisotropy change in a supramolecular Mn(II)-[3x3] grid
The magnetic anisotropy of a novel Mn(II)-[3x3] grid complex was investigated
by means of high-field torque magnetometry. Torque vs. field curves at low
temperatures demonstrate a ground state with S > 0 and exhibit a torque step
due to a field induced level-crossing at B* \approx 7.5 T, accompanied by an
abrupt change of magnetic anisotropy from easy-axis to hard-axis type. These
observations are discussed in terms of a spin Hamiltonian formalism.Comment: 4 pages, 4 figures, to be published in Phys. Rev. Let
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