Self-ordered nanoporous lattice formed by chlorine atoms on Au(111)

A self-ordered nanoporous lattice formed by individual chlorine atoms on the Au(111) surface has been studied with low-temperature scanning tunneling microscopy, low-energy electron diffraction, and density functional theory calculations. We have found out that room-temperature adsorption of 0.09–0.30 monolayers of chlorine on Au(111) followed by cooling below 110 K results in the spontaneous formation of a nanoporous quasihexagonal structure with a periodicity of 25–38 Å depending on the initial chlorine coverage. The driving force of the superstructure formation is attributed to the substrate-mediated elastic interaction

Temperature dependence of the EPR linewidth of Yb3+ - ions in Y0.99Yb0.01Ba2Cu3OX compounds: Evidence for an anomaly near TC

Electron paramagnetic resonance experiments on doped Yb3+ ions in YBaCuO compounds with different oxygen contents have been made. We have observed the strong temperature dependence of the EPR linewidth in the all investigated samples caused by the Raman processes of spin-lattice relaxation. The spin-lattice relaxation rate anomaly revealed near TC in the superconducting species can be assigned to the phonon density spectrum changesComment: 10 pages, 4 figures Renewed versio

Theory of nuclear induced spectral diffusion: Spin decoherence of phosphorus donors in Si and GaAs quantum dots

We propose a model for spectral diffusion of localized spins in semiconductors due to the dipolar fluctuations of lattice nuclear spins. Each nuclear spin flip-flop is assumed to be independent, the rate for this process being calculated by a method of moments. Our calculated spin decoherence time $T_{M}=0.64$ ms for donor electron spins in Si:P is a factor of two longer than spin echo decay measurements. For $^{31}$P nuclear spins we show that spectral diffusion is well into the motional narrowing regime. The calculation for GaAs quantum dots gives $T_{M}=10-50$ $\mu$s depending on the quantum dot size. Our theory indicates that nuclear induced spectral diffusion should not be a serious problem in developing spin-based semiconductor quantum computer architectures.Comment: 15 pages, 9 figures. Accepted for publication in Phys. Rev.

Electron spin as a spectrometer of nuclear spin noise and other fluctuations

This chapter describes the relationship between low frequency noise and coherence decay of localized spins in semiconductors. Section 2 establishes a direct relationship between an arbitrary noise spectral function and spin coherence as measured by a number of pulse spin resonance sequences. Section 3 describes the electron-nuclear spin Hamiltonian, including isotropic and anisotropic hyperfine interactions, inter-nuclear dipolar interactions, and the effective Hamiltonian for nuclear-nuclear coupling mediated by the electron spin hyperfine interaction. Section 4 describes a microscopic calculation of the nuclear spin noise spectrum arising due to nuclear spin dipolar flip-flops with quasiparticle broadening included. Section 5 compares our explicit numerical results to electron spin echo decay experiments for phosphorus doped silicon in natural and nuclear spin enriched samples.Comment: Book chapter in "Electron spin resonance and related phenomena in low dimensional structures", edited by Marco Fanciulli. To be published by Springer-Verlag in the TAP series. 35 pages, 9 figure

Cluster Model DFT Study of the Intermediates of Benzene to Phenol Oxidation by N2O on FeZSM-5 Zeolites Citation for published version (APA): Cluster model DFT study of the intermediates of benzene to phenol oxidation by N 2 O on FeZSM-5 zeolites

An Fe(II) ion at an -cation exchange position of ZSM-5 zeolite (Fe/Z) was taken as a model for the active site in the nitrous oxide decomposition and in the selective oxidation of phenol with nitrous oxide. The oxygen deposited by decomposition of N 2 O is commonly referred to as -oxygen (OFe/Z). Cluster model DFT calculations show that the interaction of the OFe/Z center with benzene resulted easily in arene oxide formation. The results indicate a rather low activation energy for this step. Possible transformations of the adsorbed arene oxide are considered and the experimental evidence for the absence of the kinetic H/D isotope effect in phenol formation is discussed. It is concluded that the rate-limiting step for the in situ oxidation of benzene to phenol is the desorption of the product