Magnetic Properties of Nanosize Iron Clusters

Magnetic and electronic properties of rhodium clusters

We have used all-electron local ~LDA! and nonlocal ~GGA! approximations to the density-functional theory to determine binding energies, equilibrium geometries, vibrational frequencies, and magnetic properties of RhN clusters (N<6). We present careful tests on the Rh2 dimer that compare results as calculated with a large ~18-single Gaussian! and a very large ~23-single Gaussian! basis sets. Whil...

Solvent Tuning of Properties of Iron-Sulfur Clusters in Proteins

Proteins containing Fe4S4 iron-sulfur clusters are ubiquitous in nature and catalyze one-electron transfer processes. These proteins have evolved into two classes that have large differences in their electrochemical potentials: high potential iron-sulfur proteins (HiPIPs) and bacterial ferredoxins (Fds). The role of the surrounding protein environment in tuning the redox potential of these iron...

Competing structural and magnetic effects in small iron clusters

We present new results of ab initio total-energy calculations of small iron clusters, Fen with 2 6 n 6 15, in which structural JahnTeller like distortion and competing non-collinear and collinear magnetic moments have been taken care of simultaneously. We used the density-functional method that employs pseudopotentials and the projector augmented wave method. The full relaxation of the atoms wi...

Magnetic Cluster Expansion Model for High-Temperature Magnetic Properties of Iron and Iron-Chromium alloys

Optical properties of nanosize aggregation of phenylene vinylene oligomers

In this paper, we report the experimental results on the optical properties of oligo-phenylene vinylenes (OPVs) formed in nanosize pores of porous silicon substrates. Strong modifications of the photoluminescence properties of nanosize aggregation of OPVs were observed at