Electron energy spectrum and magnetic interactions in high-T(sub c) superconductors

The character of magnetic interactions in La-Sr-Cu-O and Y-Ba-Cu-O systems is of primary importance for analysis of high-T(sub c) superconductivity in these compounds. Neutron diffraction experiments showed the antiferromagnetic ground state for nonsuperconducting La2CuO4 and YBa2Cu3O6 with the strongest antiferromagnetic superexchange being in the ab plane. The nonsuperconducting '1-2-3' system has two Neel temperatures T sub N1 and T sub N2. The first one corresponds to the ordering of Cu atoms in the CuO2 planes; T sub N2 reflects the antiferromagnetic ordering of magnetic moments in CuO chains relatively to the moments in the planes T sub N1 and T sub N2 depend strongly on the oxygen content. Researchers describe magnetic interactions in high-T superconductors based on the Linear Muffin-Tin Orbitals (LMTO) band structure calculations. Exchange interaction parameters can be defined from the effective Heisenberg hamiltonian. When the magnetic moments are not too large, as copper magnetic moments in superconducting oxides, J sub ij parameters can be defined through the non-local magnetic susceptibility of spin restricted solution for the crystal. The results of nonlocal magnetic susceptibility calculations and the values of exchange interaction parameters for La CuO and YBa2Cu3O7 systems are given in tabular form. Strong anisotropy of exchange interactions in the ab plane and along the c axis in La2CuO4 is obviously seen. The value of Neel temperature found agrees well with the experimental data available. In the planes of '1-2-3' system there are quite strong antiferromagnetic Cu-O and O-O interaction which appear due to holes in oxygen subbands. These results are in line with the magnetic model of oxygen holes pairing in high-T(sub c) superconductors

Electron energy spectrum and magnetic interactions in high-Tc superconductors

The character of magnetic interactions in La-Sr-Cu-O and Y-Ba-Cu-O systems is of primary importance for analysis of high-T(sub c) superconductivity in these compounds. Neutron diffraction experiments showed the antiferromagnetic ground state for nonsuperconducting La2CuO4 and YBa2Cu3O6 with the strongest antiferromagnetic superexchange being in the ab plane. The nonsuperconducting '1-2-3' system has two Neel temperatures T(sub N1) and T(sub N2). The first one corresponds to the ordering of Cu atoms in the CuO2 planes; T(sub N2) reflects the antiferromagnetic ordering of magnetic moments in CuO chains relatively to the moments in the planes T(sub N1) and T(sub N2) which depend strongly on the oxygen content. Researchers describe magnetic interactions in high-T superconductors based on the Linear Muffin-Tin Orbitals (LMTO) band structure calculations. Exchange interaction parameters can be defined from the effective Heisenberg Hamiltonian. When the magnetic moments are not too large, as copper magnetic moments in superconducting oxides, J(sub ij) parameters can be defined through the non-local magnetic susceptibility of spin restricted solution for the crystal. The results of nonlocal magnetic susceptibility calculations and the values of exchange interaction parameters for La CuO and YBa2Cu3O7 systems are given in tabular form. Strong anisotropy of exchange interactions in the ab plane and along the c axis in La2CuO4 is obviously seen. The value of Neel temperature found agrees well with the experimental data available. In the planes of '1-2-3' system there are quite strong antiferromagnetic Cu-O and O-O interaction which appear due to holes in oxygen subbands. These results are in line with the magnetic model of oxygen holes pairing in high-T(sub c) superconductors

Strong short-range magnetic order in a frustrated FCC lattice and its possible role in the iron structural transformation

We investigate magnetic properties of a frustrated Heisenberg antiferromagnet with a face-centered cubic (FCC) lattice and exchange interactions between the nearest- and next-nearest neighbours, J1 and J2. In a collinear phase with the wave vector Q = (pi,pi,pi) the equations of the self-consistent spin-wave theory for the sublattice magnetization and the average short range order parameter are obtained and numerically solved. The dependence of the Neel temperature T_N on the ratio J2/J1 is obtained. It is shown, that at strong enough frustration there is a wide temperature region above T_N with strong short range magnetic order. Application of this result to description of structural phase transition between alpha and gamma-phase of Fe is considered

Biological diversity of the coastal zone of the Crimean peninsula: problems, preservation and restoration pathways

The results of complex hydrochemical, hydrobiological and ichthyological investigations by IBSS, NAS of Ukraine, realized in 6 regions of the coastal zone of the Crimean peninsula in the Black Sea and the Sea of Azov are given. The main negative factors causing changes in structural and functional characteristics of hydrobiocenoses in the regions studied are analyzed and “hot ecological spots” are isolated. Variants of different methods of management of the coastal ecosystems, including construction of artificial reefs and usage of biological filters for water cleaning, protection and recreation of biological diversity are taken into consideration

A tight-binding potential for atomistic simulations of carbon interacting with transition metals: Application to the Ni-C system

We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons of the transition metal, is used to obtain a transferable tight-binding model of the carbon-carbon, metal-metal and metal-carbon interactions applicable to binary systems. The Ni-C system is more specifically discussed. The successful validation of the potential for different atomic configurations indicates a good transferability of the model and makes it a good choice for atomistic simulations sampling a large configuration space. This approach appears to be very efficient to describe interactions in systems containing carbon and transition metal elements

Theoretical Study on Superconductivity in Boron-Doped Diamond

We consider superconductivity in boron (B) doped diamond using a simplified model for the valence band of diamond. We treat the effects of substitutional disorder of B ions by the coherent potential approximation (CPA) and those of the attractive force between holes by the ladder approximation under the assumption of instantaneous interaction with the Debye cutoff. We thereby calculate the quasiparticle life time, the evolution of the single-particle spectra due to doping, and the effect of disorder on the superconducting critical temperature $T_c$. We in particular compare our results with those for supercell calculations to see the role of disorder, which turns out to be of crucial importance to $T_c$.Comment: 9 pages, 13 figures, submitted to J. Phys. Soc. Jpn., Errors in embedded eps figure files have been correcte

Physics and chemistry of hydrogen in the vacancies of semiconductors

Hydrogen is well known to cause electrical passivation of lattice vacancies in semiconductors. This effect follows from the chemical passivation of the dangling bonds. Recently it was found that H in the carbon vacancy of SiC forms a three-center bond with two silicon neighbors in the vacancy, and gives rise to a new electrically active state. In this paper we examine hydrogen in the anion vacancies of BN, AlN, and GaN. We find that three-center bonding of H is quite common and follows clear trends in terms of the second-neighbor distance in the lattice, the typical (two-center) hydrogen-host-atom bond length, the electronegativity difference between host atoms and hydrogen, as well as the charge state of the vacancy. Three-center bonding limits the number of H atoms a nitrogen vacancy can capture to two, and prevents electric passivation in GaAs as well

The Northern ROSAT All-Sky (NORAS) Galaxy Cluster Survey I: X-ray Properties of Clusters Detected as Extended X-ray Sources

In the construction of an X-ray selected sample of galaxy clusters for cosmological studies, we have assembled a sample of 495 X-ray sources found to show extended X-ray emission in the first processing of the ROSAT All-Sky Survey. The sample covers the celestial region with declination $\delta \ge 0\deg$ and galactic latitude $|b_{II}| \ge 20\deg$ and comprises sources with a count rate $\ge 0.06$ counts s$^{-1}$ and a source extent likelihood of 7. In an optical follow-up identification program we find 378 (76%) of these sources to be clusters of galaxies. ...Comment: 61 pages; ApJS in press; fixed bug in table file; also available at (better image quality) http://www.xray.mpe.mpg.de/theorie/NORAS