Search results for "CROSSOVER"

Special Issue 'Spin Crossover (SCO) Research'

2016

This special issue, entitled “Spin Crossover (SCO) Research”, illustrates the current relevance of a focused topic, which is inturn highly versatile. Indeed, the collection of papers presented constitutes a sampler that shows the topical importance of this area by attracting the interest of many top researchers and how it is approached under a multidisciplinary perspective.[...]

Using interactive evolutionary algorithms to help fit cochlear implants

2010

Properties of the Phonon Gas in Ultrathin Membranes at Low Temperature

1998

We analyze heat conduction by phonons in ultrathin membranes by constructing a new theoreticalframework which implies a crossover from a bulk three-dimensional phonon distribution into a quasi-two-dimensional distribution when the temperature is lowered. We calculate the corresponding changesin the relevant thermodynamic quantities. At the end we make a comparison to experimental data.[S0031-9007(98)07273-1]

Crossover scaling in two dimensions

1997

We determine the scaling functions describing the crossover from Ising-like critical behavior to classical critical behavior in two-dimensional systems with a variable interaction range. Since this crossover spans several decades in the reduced temperature as well as in the finite-size crossover variable, it has up to now largely evaded a satisfactory numerical determination. Using a new Monte Carlo method, we could obtain accurate results for sufficiently large interactions ranges. Our data cover the full crossover region both above and below the critical temperature and support the hypothesis that the crossover functions are universal. Also the so-called effective exponents are discussed …

Pyridazine-Supported Polymeric Cyanometallates with Spin Transitions

2019

Heterometallic cyano-bridged spin-crossover complexes form a large family of switchable compounds with different structural motives and diverse transition characteristics. Here we report on the hysteretic water-dependent spin transitions found in the family of [Fe(pyridazine)2M(CN)4] frameworks (M = Ni, Pd, Pt). The structure of three new spin-crossover compounds is built of cyanometallic layers supported by pyridazine ligands. The frameworks contain water guest molecules that can be removed upon heating. Spin transition was found in both hydrated and dehydrated compounds, while the removal of water stimulated a complete spin state switch. Mössbauer spectroscopy revealed two different …

Direct to Indirect Crossover in III-VI Layered Compounds and Alloys under Pressure

1999

The pressure dependence of the optical absorption edge of In1± xGaxSe (0 < x < 0.2) and GaTe has been investigated in order to determine the direct to indirect crossover pressure and the energy difference between the absolute and subsidiary minima of the conduction band at ambient pressure. In the In1± xGaxSe alloy, the crossover pressure decreases with increasing Ga proportion. For InSe, from the extrapolation to x = 0 the band crossover is found to occur at 4.3 GPa and the subsidiary minimum of the conduction band is located, at ambient pressure, (0.32 0.02) eV above the absolute minimum. In addition, the energy difference between the conduction band minima is shown to decrease linearly w…

Adatom Island Diffusion on Metal Fcc(100) Surfaces

2001

We study the energetics and atomic mechanisms of diffusion of adatom islands on fcc(100) metal surfaces. For small islands, we perform detailed microscopic calculations using semi-empirical embedded-atom model and glue potentials in the case of Cu and Al, respectively. Combining systematic saddle-point search methods and molecular statics simulations allows us to find all the relevant transition paths for island motion. In particular, we demonstrate that there are novel many-body mechanisms such as internal row shearing which can, in some cases, control the island dynamics. Next, we show how using the master equation formalism, diffusion coefficients for small islands up to about five atoms…

ChemInform Abstract: Spin Crossover Phenomena in Fe(II) Complexes

2001

Spin Crossover? An Overall Perspective

2005

Spin crossover in a tetranuclear Cr(III)-Fe(III)3 complex

2004

A novel heteronuclear exchange-coupled complex [Cr I I I {(CN)Fe I I I -( 5 L)} 3 (CN) 3 ] containing a pentadentate blocking ligand 5 L was synthesized. The X-ray structure shows that a meridional isomer applies with inequivalent Fe I I I centers. The complex exhibits a thermally induced spin crossover along with the exchange coupling. Mossbauer spectra indicate a spin transition between S = ½ and S = 5/2 states although a considerable amount of Fe I I I centers stays high-spin at T = 6 K. The magnetization, the magnetic susceptibility, and the Mossbauer data were fitted in one run with a spin crossover model taking into account exchange interactions among all metal centers.