Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)(2)

12 pages, 16 figures12 pages, 16 figures12 pages, 16 figures12 pages, 16 figure

Conformations in crystals and solutions of d(CACGTG), d(CCGCGG) and d(GGCGCC) studied by vibrational spectroscopy

Crystals of self camplementary DMA hexamers dCCACGTG>, dCCCGCGG> and d were grown bf vapour dlffuslon technlque and studled by mlcroRaman and mlcroiR spectroscop es. The ollgonucleotldes were studled ln parallel ln solutlon by vlbratlonal spectroscopy. A B->Z transltlon was detected by Raman spectroscopy cl.lrlng the crystalllzatlon procese for dCCACGTG>. Vlbratlonal spectroscopy shows that the dCGGCGCC> crystals adopt a B geametry. On the contrary the d sequence whlch ls shown to be able to undergo ln solutlon or ln fllms qulte easlly the B->Z transltlon, remalns trapped ln crystals ln a geametry whlch may correspond to an lntermedlate conformatlon often proposed ln modele of the B->Z transltlon. The crystals used ln thls study were characterlzed by X-ray dlffractlon. The unlt cell and space group have been determlned

Weak ferromagnetism with very large canting in a chiral lattice: (pyrimidine)2FeCl2

The transition metal coordination compound (pyrimidine)2FeCl2 crystallizes in a chiral lattice, space group I 4_1 2 2 (or I4_3 2 2). Combined magnetization, Mossbauer spectroscopy and powder neutron diffraction studies reveal that it is a canted antiferromagnet below T_N = 6.4 K with an unusually large canting of the magnetic moments of 14 deg. from their general antiferromagnetic alignment, one of the largest reported to date. This results in weak ferromagnetism with a ferromagnetic component of 1 mu_B. The large canting is due to the interplay between the antiferromagnetic exchange interaction and the local single-ion anisotropy in the chiral lattice. The magnetically ordered structure of (pyrimidine)2FeCl2, however, is not chiral. The implications of these findings for the search of molecule based materials exhibiting chiral magnetic ordering is discussed.Comment: 6 pages, 5 figure

Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets

A novel microscopic mechanism of bi-directional structural changes is proposed for the photo-induced magnetic phase transition in Co-Fe Prussian blue analogues on the basis of ab initio quantum chemical cluster calculations. It is shown that the local potential energies of various spin states of Co are sensitive to the number of nearest neighbor Fe vacancies. As a result, the forward and backward structural changes are most readily initiated by excitation of different local regions by different photons. This mechanism suggests an effective strategy to realize photoinduced reversible phase transitions in a general system consisting of two local components.Comment: 4 pages, LaTex, 3 figures, to appear in Phys. Rev. Let

Backreaction from non-conformal quantum fields in de Sitter spacetime

We study the backreaction on the mean field geometry due to a non-conformal quantum field in a Robertson-Walker background. In the regime of small mass and small deviation from conformal coupling, we compute perturbatively the expectation value of the stress tensor of the field for a variety of vacuum states, and use it to obtain explicitly the semiclassical gravity solutions for isotropic perturbations around de Sitter spacetime, which is found to be stable. Our results show clearly the crucial role of the non-local terms that appear in the effective action: they cancel the contribution from local terms proportional to the logarithm of the scale factor which would otherwise become dominant at late times and prevent the existence of a stable self-consistent de Sitter solution. Finally, the opposite regime of a strongly non-conformal field with a large mass is also considered.Comment: 31 page

Tuning the magnetic ground state of a novel tetranuclear Nickel(II) molecular complex by high magnetic fields

Electron spin resonance and magnetization data in magnetic fields up to 55 T of a novel multicenter paramagnetic molecular complex [L_2Ni_4(N_3)(O_2C Ada)_4](Cl O_4) are reported. In this compound, four Ni centers each having a spin S = 1 are coupled in a single molecule via bridging ligands (including a \mu_4-azide) which provide paths for magnetic exchange. Analysis of the frequency and temperature dependence of the ESR signals yields the relevant parameters of the spin Hamiltonian, in particular the single ion anisotropy gap and the g factor, which enables the calculation of the complex energy spectrum of the spin states in a magnetic field. The experimental results give compelling evidence for tuning the ground state of the molecule by magnetic field from a nonmagnetic state at small fields to a magnetic one in strong fields owing to the spin level crossing at a field of ~25 T.Comment: revised version, accepted for publication in Physical Review

Exact non-singular waves in the anti-de Sitter universe

A class of radiative solutions of Einstein's field equations with a negative cosmological constant and a pure radiation is investigated. The space-times, which generalize the Defrise solution, represent exact gravitational waves which interact with null matter and propagate in the anti-de Sitter universe. Interestingly, these solutions have homogeneous and non-singular wave-fronts for all freely moving observers. We also study properties of sandwich and impulsive waves which can be constructed in this class of space-times.Comment: 15 pages, 3 figures, To appear in Gen. Rel. Gra

General-relativistic Model of Magnetically Driven Jet

The general scheme for the construction of the general-relativistic model of the magnetically driven jet is suggested. The method is based on the usage of the 3+1 MHD formalism. It is shown that the critical points of the flow and the explicit radial behavior of the physical variables may be derived through the jet ``profile function."Comment: 12 pages, LaTex, no figure

Low-Temperature Properties of Quasi-One-Dimensional Molecule-Based Ferromagnets

Quantum and thermal behaviors of low-dimensional mixed-spin systems are investigated with particular emphasis on the design of molecule-based ferromagnets. One can obtain a molecular ferromagnet by assembling molecular bricks so as to construct a low-dimensional system with a magnetic ground state and then coupling the chains or the layers again in a ferromagnetic fashion. Two of thus-constructed quasi-one-dimensional bimetallic compounds are qualitatively viewed within the spin-wave treatment, one of which successfully grows into a bulk magnet, while the other of which ends in a singlet ground state. Then, concentrating on the ferrimagnetic arrangement on a two-leg ladder which is well indicative of general coupled-chain ferrimagnets, we develop the spin-wave theory and fully reveal its low-energy structure. We inquire further into the ferromagnetic aspect of the ferrimagnetic ladder numerically calculating the sublattice magnetization and the magnetic susceptibility. There exists a moderate coupling strength between the chains in order to obtain the most ferromagnetic ferrimagnet.Comment: 10 pages, 7 figures embedded, to be published in J. Phys. Soc. Jpn. Vol.70, No.5 (2001

Stochastic semiclassical fluctuations in Minkowski spacetime

The semiclassical Einstein-Langevin equations which describe the dynamics of stochastic perturbations of the metric induced by quantum stress-energy fluctuations of matter fields in a given state are considered on the background of the ground state of semiclassical gravity, namely, Minkowski spacetime and a scalar field in its vacuum state. The relevant equations are explicitly derived for massless and massive fields arbitrarily coupled to the curvature. In doing so, some semiclassical results, such as the expectation value of the stress-energy tensor to linear order in the metric perturbations and particle creation effects, are obtained. We then solve the equations and compute the two-point correlation functions for the linearized Einstein tensor and for the metric perturbations. In the conformal field case, explicit results are obtained. These results hint that gravitational fluctuations in stochastic semiclassical gravity have a ``non-perturbative'' behavior in some characteristic correlation lengths.Comment: 28 pages, RevTeX, no figure