Search results for "Ground"

Transitions between metastable states in silica clusters

1999

Relaxation phenomena in glasses can be related to jump processes between different minima of the potential energy in the configuration space. These transitions play a key role in the low temperature regime, giving rise to tunneling systems responsible for the anomalous specific heat and thermal conductivity in disordered solids with respect to crystals. By using a recently developed numerical algorithm, we study the potential energy landscape of silica clusters, taking as a starting point the location of first order saddle points. This allows us to find a great number of adjacent minima. We analyze the degree of cooperativity of these transitions and the connection of physical properties wi…

2015

We propose a trapped ion scheme en route to realize spin Hamiltonians on a Kagome lattice which, at low energies, are described by emergent gauge fields, and support a topological quantum spin liquid ground state. The enabling element in our scheme is the hexagonal plaquette spin–spin interactions in a two-dimensional ion crystal. For this, the phonon-mode spectrum of the crystal is engineered by standing-wave optical potentials or by using Rydberg excited ions, thus generating localized phonon-modes around a hexagon of ions selected out of the entire two-dimensional crystal. These tailored modes can mediate spin–spin interactions between ion-qubits on a hexagonal plaquette when subject to …

Jahn-Teller deformations of jellium slices

1997

Equilibrium geometries of quasi two-dimensional jellium systems are calculated in the local density approximation, closely following the “Ultimate Jellium Model” of [1]. The background charge is assumed to be fully deformable in a layer between two parallel planes, whereas the wave functions in the direction perpendicular to such a “jellium slice” are confined to their ground state. Like for jellium clusters in three dimensions [1], we find that for various system sizes, a trend towards a breaking of axial and inversion symmetries is observable.

Hyperfine-structure measurements on trapped Pb II.

1992

The 6${\mathit{P}}_{3/2}$-6${\mathit{P}}_{1/2}$ magnetic dipole resonance transition in ${\mathrm{Pb}}^{+}$ has been observed by cw laser excitation of an ion cloud stored in a Paul trap and subsequent detection of the fluorescence radiation. From the hyperfine-structure splitting of the spectrum we determine the A factor for the ground state, A(${\mathit{P}}_{1/2}$)=12.967(13) GHz, and the excited state, A(${\mathit{P}}_{3/2}$)=0.580(3) GHz. From a contamination of $^{208}\mathrm{Pb}$ in our sample we derived the $^{207}\mathrm{Pb}^{+}$${\mathrm{\ensuremath{-}}}^{208}$${\mathrm{Pb}}^{+}$ isotope shift [\ensuremath{\Delta}\ensuremath{\nu}=311(14) MHz]. A small electric quadrupole admixture …

Alloying-induced transition from local-moment to itinerant heavy fermion magnetism in Ce(Cu1−xNix)2Ge2

1990

Abstract A monotonous increase of the Kondo temperature in Ce(Cu1−xNix)2Ge2 from 7 (x = 0) to 30 K (x = 1) is accompanied by drastic changes of ground state properties: for x⩽0.2, a modulated magnetic structure (q01 = (0.28, 0.28, 0.54)) involving Kondo-reduced local Ce moments ( μ s = 0.74μ B Ce for x = 0) forms below TN1(x). TN1 = 4. 1 K for CeCu2Ge2 is strongly depressed upon increasing x. At x ≲ 0.2, a different modulation develops below TN2(x) which becomes maximum (≃4 K) for x = 0.5. Since this is characterized by a very small value of q02 (=(0, 0, 0.13) at x = 0.5) and a gradually decreasing ordered moment (reaching μs ≲ 0.2μB/Ce for x ⩾0.65), we ascribe it to “heavy fermion band mag…

Magnetism of metallacrown single-molecule magnets: From a simplest model to realistic systems

2018

Electronic and magnetic properties of molecular nanomagnets are determined by competing energy scales due to the crystal field splitting, the exchange interactions between transition metal atoms, and relativistic effects. We present a comprehensive theory embracing all these phenomena based on first-principles calculations. In order to achieve this goal, we start from the ${\mathrm{FeNi}}_{4}$ cluster as a paradigm. The system can be accurately described on the ab initio level yielding all expected electronic states in a range of multiplicities from 1 to 9, with a ferromagnetic ground state. By adding the spin-orbit coupling between them we obtain the zero-field splitting. This allows to in…

Challenge of magnetism in strongly correlated open-shell 2p systems.

2009

We report on theoretical investigations of the exotic magnetism in rubidium sesquioxide ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$, a model correlated system with an open $2p$ shell. Experimental investigations indicated that ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$ is a magnetically frustrated insulator. The frustration is explained here by electronic structure calculations that incorporate the correlation between the oxygen $2p$ electrons and deal with the mixed-valent oxygen. This leads to a physical picture where the symmetry is reduced because one third of the oxygen in ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$ is nonmagnetic while the remaining two thirds assemble in antiferromagnetic arrangements. A d…

Electronic structure calculations forZnFe2O4

2011

Local density approximation was applied to scrutinize the electronic structure and magnetic properties of the spinel ferrite ${\mathrm{ZnFe}}_{2}{\mathrm{O}}_{4}$. Various cation distributions were established to obtain the ground state for the system. In magnetic crystals, the position of the atoms is not enough for symmetry determination. A structure prediction by decreasing the octahedral point group symmetry ${\mathrm{O}}_{h}$ of Fe to ${\mathrm{D}}_{4h}$, ${\mathrm{C}}_{4v}$, and ${\mathrm{C}}_{3v}$ was carried out. The effect of the exchange and correlation terms on the band structure of ${\mathrm{ZnFe}}_{2}{\mathrm{O}}_{4}$ was studied by the generalized gradient approximation $+$ th…

Quantum effects on the herringbone ordering ofN2on graphite

1993

The effects of quantum fluctuations on the ``2-in'' herringbone ordering in a realistic model of 900 ${\mathrm{N}}_{2}$ molecules adsorbed in the (\ensuremath{\surd}3 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}3 )R30\ifmmode^\circ\else\textdegree\fi{} structure on graphite are studied via path-integral Monte Carlo (PIMC) simulations. Quasiclassical and quasiharmonic calculations agree for high and low temperatures, respectively, but only PIMC gives satisfactory results over the entire temperature range. We can quantify the lowering of the transition temperature and the depression of the ground state order to 10% as compared to classical modeling.

Electron Capture Processes in Intermediate Mass stars

2015

Intermediate mass stars develop a degenerate core constituted of O, Ne and Mg during their evolution. As the density in the core increases electron capture sets in igniting Ne and O burning. Particularly important is electron capture on 20Ne that has been found recently to be dominated by a second forbidden transition from the 0+ ground state of 20Ne to the 2+ ground state of 20F. We have performed shell–model calculations to determine the transition strength and provide an updated value of the electron capture rate and the expected branching ratio to the corresponding β–decay process. peerReviewed