Search results for "density [muon]"
showing 10 items of 313 documents
Low-energy excitations from interacting tunneling units in the mean-field approximation
1991
Abstract The low-energy excitation spectrum of dilute concentrations of interacting tunneling quadrupoles randomly distributed in a non-polar medium was studied in the mean-field approximation. In particular the case of six-orientational tunneling quadrupoles (TQs) with a r−3 (elastic) interaction was considered. Because of the random position of the TQs, the internal field in a random variable and for relatively low concentrations has a Lorenzian probability distribution. The low-energy density of states is a constant and the low-energy excitations arise from the large internal fields, i.e. strongly interacting tunneling quadrupoles. The low-energy excitations were compared with those obta…
Tailoring the electronic structure of half-metallic Heusler alloys
2009
We investigated element-specific magnetic moments and the spin-resolved unoccupied density of states (DOS) of polycrystalline ${\text{Co}}_{2}\text{Ti}Z$ $(Z=\text{Si},\text{ }\text{Ge},\text{ }\text{Sn},\text{ }\text{Sb})$, ${\text{Co}}_{2}{\text{Mn}}_{x}{\text{Ti}}_{1\ensuremath{-}x}\text{Si}$ and ${\text{Co}}_{2}{\text{MnGa}}_{1\ensuremath{-}x}{\text{Ge}}_{x}$ Heusler alloys using circular dichroism in x-ray absorption spectroscopy (XMCD). We find a small $(l0.03{\ensuremath{\mu}}_{B})$ Ti moment oriented antiparallel and a large $(g3{\ensuremath{\mu}}_{B})$ Mn moment oriented parallel to the Co moment of approximately $1{\ensuremath{\mu}}_{B}$ per atom in the investigated compounds. Orb…
Propagation and localisation of vibrational modes in 3–dimensional disordered systems: the binary force constant model
1999
We consider a system of coupled harmonic oscillators on a cubic lattice. The force constants are supposed to take two distinct values at random according to a bond concentration x. The density of states (DOS) is evaluated both by numerical diagonalisation and in coherent-potential approximation (CPA). There is excellent agreement between the results of the two methods. Near the concentration, where the bonds with the larger force constants percolate, the DOS differs appreciably from the crystalline one and is anomalously enhanced at low frequencies as compared to Debye's ω2 law (“boson peak”). These features are shared with models with continuous distributions of force constants. The mean f…
The multifractal character of the electronic states in disordered two-dimensional systems
1995
The nature of electronic states in disordered two-dimensional (2D) systems is investigated. With this aim, we present our calculations of both density of states and d.c. conductivity for square lattices modelling the Anderson Hamiltonian with on-site energies randomly chosen from a box distribution of width W. For weak disorder (W), the eigenfunctions calculated by means of the Lanczos diagonalization algorithm display spatial fluctuations reflecting their (multi)fractal behaviour. For increasing disorder the observed increase of the curdling of the wavefunction reflects its stronger localization. However, as a function of energy, the eigenstates at energy mod E mod /V approximately=1.5 are…
Model calculations for vibrational properties of disordered solids and the “boson peak”
1999
Abstract It is demonstrated that a disordered system of coupled classical harmonic oscillators with a continuous distribution of coupling parameters exhibits generally a low-frequency enhancement (“boson peak”) of the density of states, as compared with the Debye law. This phenomenon is most pronounced if the system is close to an instability. This is shown by means of a scalar model on a simple cubic lattice. The force constants are assumed to fluctuate from bond to bond according to a Gaussian distribution which is truncated at its lower end. The model is solved for the density of states and the one-phonon dynamic structure factor S(q, ω) by applying the two-site coherent potential approx…
Relaxation and phonons in viscous and glassy orthoterphenyl by neutron scattering
1993
We present an extended set of incoherent neutron scattering measurements on the van der Waals liquido-terphenyl, obtained by time-of-flight and backscattering spectroscopy. In the supercooled liquid regime, data from three instruments are combined and analysed in terms of the selfcorrelationS(Q, t). In the time range 1...100 ps, the crossover from α-to β-relaxation is well described by the masterfunction of mode coupling theory, and fitted parameters are consistent with the previously established critical temperatureT c [Z. Phys. B83, 175 (1991)]. In the glassy regime, vibrations are harmonic and can be described by a density of states. Deviations at lowQ are quantitatively explained by a m…
Local nuclear energy density functional at next-to-next-to-next-to-leading order
2008
We construct nuclear energy density functionals in terms of derivatives of densities up to sixth, next-to-next-to-next-to-leading order (N3LO). A phenomenological functional built in this way conforms to the ideas of the density matrix expansion and is rooted in the expansions characteristic to effective theories. It builds on the standard functionals related to the contact and Skyrme forces, which constitute the zero-order (LO) and second-order (NLO) expansions, respectively. At N3LO, the full functional with density-independent coupling constants, and with the isospin degree of freedom taken into account, contains 376 terms, while the functionals restricted by the Galilean and gauge symme…
Diverging exchange force and form of the exact density matrix functional
2019
For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each symmetry sector, the interaction functional $\mathcal{F}$ depends only on the natural occupation numbers $\bf{n}$. The respective sets $\mathcal{P}^1_N$ and $\mathcal{E}^1_N$ of pure and ensemble $N$-representable one-matrices coincide. Second, and most importantly, the exact functional is strongly shaped by the geometry of the polytope $\mathcal{E}^1_N \equiv \mathcal{P}^1_N $, described by linear constraints $D^{(j)}(\bf{n})\geq 0$. For smaller systems,…
Bose-Einstein condensation of two interacting particles
2000
We investigate the notion of Bose-Einstein condensation of interacting particles. The definition of the condensate is based on the existence of the dominant eigenvalue of the single-particle density matrix. The statistical properties and the characteristic temperature are computed exactly in the soluble models of two interacting atoms.
The Negele-Vautherin density matrix expansion applied to the Gogny force
2010
We use the Negele-Vautherin density matrix expansion to derive a quasi-local density functional for the description of systems of fermions interacting with short-ranged interactions composed of arbitrary finite-range central, spin-orbit, and tensor components. Terms that are absent in the original Negele-Vautherin approach owing to the angle averaging of the density matrix are fixed by employing a gauge invariance condition. We obtain the Kohn-Sham interaction energies in all spin-isospin channels, including the exchange terms, expressed as functions of the local densities and their derivatives up to second (next to leading) order. We illustrate the method by determining the coupling consta…