Search results for " electrons"
showing 10 items of 1168 documents
Selective Photoswitching of the Binuclear Spin Crossover Compound{[Fe(bt)(NCS)2]2(bpm)}into Two Distinct Macroscopic Phases
2005
The low-spin (LS-LS, $S=0$) diamagnetic form of the binuclear spin crossover complex ${[\mathrm{Fe}(\mathrm{bt})(\mathrm{NCS}{)}_{2}{]}_{2}(\mathrm{bpm})}$ was selectively photoconverted into two distinct macroscopic phases at different excitation wavelengths (1342 or 647.1 nm). These long-lived metastable phases have been identified, respectively, as the symmetry-broken paramagnetic form (HS-LS, $\mathrm{S}=2$) and the antiferromagnetically coupled (HS-HS, $S=0$) high-spin form of the compound. The selectivity may be explained by the strong coupling of the primary excited states to the paramagnetic state.
Geometric, electronic, and magnetic structure ofCo2FeSi: Curie temperature and magnetic moment measurements and calculations
2005
In this work a simple concept was used for a systematic search for materials with high spin polarization. It is based on two semiempirical models. First, the Slater-Pauling rule was used for estimation of the magnetic moment. This model is well supported by electronic structure calculations. The second model was found particularly for ${\mathrm{Co}}_{2}$ based Heusler compounds when comparing their magnetic properties. It turned out that these compounds exhibit seemingly a linear dependence of the Curie temperature as function of the magnetic moment. Stimulated by these models, ${\mathrm{Co}}_{2}\mathrm{FeSi}$ was revisited. The compound was investigated in detail concerning its geometrical…
The 2020 skyrmionics roadmap
2020
The notion of non-trivial topological winding in condensed matter systems represents a major area of present-day theoretical and experimental research. Magnetic materials offer a versatile platform that is particularly amenable for the exploration of topological spin solitons in real space such as skyrmions. First identified in non-centrosymmetric bulk materials, the rapidly growing zoology of materials systems hosting skyrmions and related topological spin solitons includes bulk compounds, surfaces, thin films, heterostructures, nano-wires and nano-dots. This underscores an exceptional potential for major breakthroughs ranging from fundamental questions to applications as driven by an inte…
Time propagation of the Kadanoff–Baym equations for inhomogeneous systems
2009
We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the presence of time-dependent external fields. The external fields are treated nonperturbatively whereas the many-body interactions are incorporated perturbatively using Phi-derivable self-energy approximations that guarantee the satisfaction of the macroscopic conservation laws of the system. These approximations are discussed in detail for the time-dependent Hartree-Fock, the second Born and the GW approximation.
Orthogonality Catastrophe and Decoherence in a Trapped-Fermion Environment
2012
The Fermi edge singularity and the Anderson orthogonality catastrophe describe the universal physics which occurs when a Fermi sea is locally quenched by the sudden switching of a scattering potential, leading to a brutal disturbance of its ground state. We demonstrate that the effect can be seen in the controllable domain of ultracold trapped gases by providing an analytic description of the out-of-equilibrium response to an atomic impurity, both at zero and at finite temperature. Furthermore, we link the transient behavior of the gas to the decoherence of the impurity, and, in particular to the amount of non-markovianity of its dynamics.
Exchange-transfer in mixed-valence clusters with one migrating hole
1996
Abstract A new mechanism for exchange-transfer specific to hole-type mixed-valence clusters is proposed. The intermediate state in the second-order exchange-transfer process is achieved by the jump of the electron from the spin-core of the dn+1 ion into the empty orbital of the dn ion. As distinguished from the mixed-valence clusters with one delocalized electron this intermediate state is the high-spin one giving rise to a ferromagnetic contribution to the ground manifold. On the basis of angular momentum theory a general solution of the exchange-transfer problem is given for arbitrary nuclearity mixed-valence hole-type clusters with many-electron paramagnetic spin-cores. The interplay bet…
ChemInform Abstract: Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints
2010
Abstract The spin density distribution in transition metal complexes is discussed in qualitative terms, taking into account the coexistence of spin delocalization and spin polarization mechanisms, with the help of numerical results for several complexes obtained from density functional calculations. The covalent character of the metal-ligand bonds as well as the σ- or π-characteristics of the partially filled d orbitals must be taken into account to qualitatively predict the sign of the spin density at a particular atom within a ligand. The same patterns can be applied to binuclear complexes and can be helpful in determining the ferro- or antiferromagnetic character of the exchange coupling…
Phase diagram of the quarter-filled extended Hubbard model on a two-leg ladder
2000
We investigate the ground-state phase diagram of the quarter-filled Hubbard ladder with nearest-neighbor Coulomb repulsion V using the Density Matrix Renormalization Group technique. The ground-state is homogeneous at small V, a ``checkerboard'' charge--ordered insulator at large V and not too small on-site Coulomb repulsion U, and is phase-separated for moderate or large V and small U. The zero-temperature transition between the homogeneous and the charge-ordered phase is found to be second order. In both the homogeneous and the charge-ordered phases the existence of a spin gap mainly depends on the ratio of interchain to intrachain hopping. In the second part of the paper, we construct an…
Stripe formation in doped Hubbard ladders
2004
We investigate the formation of stripes in $7\chunks \times 6$ Hubbard ladders with $4\chunks$ holes doped away from half filling using the density-matrix renormalization group (DMRG) method. A parallelized code allows us to keep enough density-matrix eigenstates (up to $m=8000$) and to study sufficiently large systems (with up to $7\chunks = 21$ rungs) to extrapolate the stripe amplitude to the limits of vanishing DMRG truncation error and infinitely long ladders. Our work gives strong evidence that stripes exist in the ground state for strong coupling ($U=12t$) but that the structures found in the hole density at weaker coupling ($U=3t$) are an artifact of the DMRG approach.
High-field nuclear spin relaxation in liquids and solids
1990
The authors generalise the standard theory of nuclear spin relaxation to situations in which the Markovian approximation is not applicable. Expressions for generalised frequency-dependent spin relaxation functions are presented. They show that under high-field conditions the relaxation of longitudinal magnetisation is exponential independent of the particular time dependence of the correlation functions.