Search results for "Condensed Matter::Strongly Correlated Electrons"
showing 10 items of 888 documents
Adiabatic-antiadiabatic crossover in a spin-Peierls chain
2004
We consider an XXZ spin-1/2 chain coupled to optical phonons with non-zero frequency $\omega_0$. In the adiabatic limit (small $\omega_0$), the chain is expected to spontaneously dimerize and open a spin gap, while the phonons become static. In the antiadiabatic limit (large $\omega_0$), phonons are expected to give rise to frustration, so that dimerization and formation of spin-gap are obtained only when the spin-phonon interaction is large enough. We study this crossover using bosonization technique. The effective action is solved both by the Self Consistent Harmonic Approximation (SCHA)and by Renormalization Group (RG) approach starting from a bosonized description. The SCHA allows to an…
Study of the Spin Wave Linewidth in a 1-D Easy-Plane Ferromagnet Using Neutron Polarization Analysis
1990
An anomalous wavevector dependence in the spin wave linewidth associated with fluctuations out of the easy plane is observed for the first time in the one-dimensional easy-plane ferromagnet CsNiF3 by means of inelastic polarized neutron scattering. The linewidths of the spin waves, one attributed to spin fluctuations out of the easy plane and another in the easy plane, are studied separately throughout the Brillouin zone. The zone boundary narrowing of the linewidth associated with the spin fluctuations in the easy plane is observed for the first time in agreement with the classical spin wave theory. The deviations from the classical result at large qc and high temperature are interpreted a…
Magnetic excitations of a doped two-dimensional antiferromagnet
1993
Magnetic excitations of the two-dimensional (2D) t-J model are considered in the presence of a small concentration of holes c. The spin-wave approximation used implies long-range antiferromagnetic ordering from the beginning. Migdal's theorem is shown to be valid for the model considered. The energy spectrum of the magnons is determined with the help of the one-pole approximation for the hole Green's function. If the concentration of mobile holes is larger than a critical value an additional branch of overdamped magnons arises near the \ensuremath{\Gamma} and M points of the Brillouin zone. This is connected with the generation of electron-hole pairs (the Stoner excitations) by magnons. The…
Theoretical modeling of antiferrodistortive phase transition forSrTiO3ultrathin films
2013
Combining group-theoretical analysis and first-principles density functional theory calculations, we confirm theoretically the antiferrodistortive phase transition in ultrathin SrTiO${}_{3}$ (001) TiO${}_{2}$-terminated films and compare it with a similar transition in the bulk. We demonstrate phonon softening at the $M$ point of the surface Brillouin zone and analyze the change in the calculated electronic and phonon properties upon phase transition.
An ab initio study of the relation between NMR chemical shifts and solid-state structures: hexabenzocoronene derivatives
2000
The assignment of solid-state NMR spectra is studied by the use of model systems computed with ab initio methods. The investigated system is a hexabenzocoronene derivative, for which a T-like arrangement of dimer units is found in the solid-state structure. Here, a tetramer model is required to explain the intermolecular interactions influencing the spectrum, whereas a dimer model is found to be inadequate. For the tetramer model, agreement of the computed NMR spectrum with the experimental solid-state magic angle spinning MAS-NMR data is observed. This study implies that the combination of experimental NMR data with quantum chemical calculations can be employed as a useful tool in determin…
Pressure-induced phase transitions in AgClO4
2011
11 pags, 9 figs, 4 tabs. -- PACS number(s): 62.50.−p, 64.70.K−, 61 .50.Ks, 64.30.−t
Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy
2021
The field of zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) is currently experiencing a rapid growth, owing to the progress in optical magnetometry, and also attractive features of ZULF NMR, such as low hardware cost and excellent spectral resolution achieved under ZULF conditions. In this work, an approach is proposed and demonstrated for simultaneous acquisition of ZULF-NMR spectra of individual 13C-containing isotopomers of chemical compounds in a complex mixture. The method makes use of fast field cycling, so that the spin evolution takes place at ZULF conditions, whereas signal detection is performed in a high-field NMR spectrometer. This method has excellent sensitivi…
ChemInform Abstract: Metal-Metal Bonding and Metallic Behavior in Some ABO2 Delafossites.
2010
We present results of ab initio band structure calculations on some ABO2 delafossite oxides that have both the A and B sites occupied by transition metals. This class of materials includes insulators as well as some of the most conducting oxides. The calculations have been performed in order to understand the nature of the metallic and insulating states and the extensive metal−metal bonding displayed by these materials. The effect of polytypism on the electronic structure is examined. Among the interesting aspects of the electronic structure of these materials are the contributions from both A and B atoms to states near the Fermi energy and the highly disperse nature of bands derived from t…
Unravelling the chemical design of spin-crossover nanoparticles based on iron(ii)–triazole coordination polymers: towards a control of the spin trans…
2015
We present a systematic study of the key synthetic parameters that control the growth of Fe–triazole spin-crossover nanoparticles and the effect of this size modulation on the spin transition.
Magnetic Excitations in Polyoxometalate Clusters Observed by Inelastic Neutron Scattering: Evidence for Ferromagnetic Exchange Interactions and Spin…
1999
The ground-state properties of the tetranuclear Ni2+ cluster [Ni4(H2O)2(PW9O34)2]10- were investigated by combining magnetic susceptibility and magnetization measurements with a detailed inelastic neutron scattering (INS) study on a fully deuterated sample of K6Na4[Ni4(H2O)2(PW9O34)2]·24H2O. The temperature dependence of the magnetic susceptibility indicates a ferromagnetic coupling of the four constituent Ni2+ ions (s = 1), and a low-temperature magnetization study provides the magnitude of the S = 4 ground-multiplet splitting due to the single-ion anisotropy of the Ni2+ ions. Besides a more direct and precise determination of the anisotropic S = 4 ground-multiplet splitting, INS enabled t…