Quantum electronic transport: Linear and nonlinear conductance from the Keldysh approach

This is a review of the derivation of the Landauer conductance using the Keldysh non-equilibrium Green's function (NEGF) formalism and the equations-of-motion (EOM) method. We consider the elastic quantum electronic transport through a multi-lead device and treat the conductor in the mean-field approximation. This is suitable for open quantum dots as well as for several molecular systems where charging effects are negligible. The focus of the presentation is to unveil the technical issues involved in the formalism. We show how the Landauer conductance emerges as a linear term in the current-voltage I-V characteristics and indicate how to go beyond this regime. We address the connection of the NEGF approach to recent developments in molecular transport and discuss the problems that arise when one tries to include interaction effects beyond the mean field.     

Binary boron-rich borides of magnesium: single-crystal investigations and properties of MgB(7) and the new boride Mg(∼5)B(44)

Single crystals of dark-red MgB(7) were grown from the elements in a Cu-melt. The crystal structure (Pearson symbol oI64; space group Imma; a = 10.478(2) ?, b = 5.977(1) ?, c = 8.125(2) ?, 2842 reflns, 48 params, R(1)(F) = 0.018, R(2)(I) = 0.034) consists of a hexagonal-primitive packing of B(12)-icosahedra and B(2)-units in trigonal-prismatic voids. According to the UV-vis spectra and band structure calculations MgB(7) is semiconducting with an optical gap of 1.9 eV. The long B-B distance of 2.278 ? within the B(2)-unit can be seen as a weak bonding interaction. The new Mg(～5)B(44) occurs beside the well-known MgB(12) as a byproduct. Small fragments of the black crystals are dark-yellow and transparent. The crystal structure (Pearson symbol tP196, space group P4(1)2(1)2, a = 10.380(2) ?, c = 14.391(3) ?, 4080 reflns, 251 params, R(1)(F) = 0.025, R(2)(I) = 0.037) is closely related to tetragonal boron-II (t-B(192)). It consists of B(12)-icosahedra and B(19+1)-units. With a charge of -6 for the B(19+1)-units and a Mg-content of ～20 Mg-atoms per unit cell the observed Mg content in Mg(～5)B(44) is quite close to the expected value derived from simple electron counting rules. All compositions were confirmed by EDXS. The microhardness was measured on single crystals for MgB(7) (H(V) = 2125, H(K) = 2004) and MgB(12) (H(V) = 2360, H(K) = 2459).     

Fundamentals of Plasma Polymerization

The plasma polymerization of ethylene is used as an example through which to discuss the elementary steps involved in forming a polymer in an electric discharge. The relationship of the experimentally controlled variables to the rate of formation of first generation active species is discussed. These species are related, in turn, to the overall rate of polymerization through a simple model. Two asymptotic conditions are discussed which correspond to minimal and total conversion of monomer to polymer. The dependence of polymer deposition rate on monomer flow rate predicted by the model is found to correspond very closely to that observed experimentally. The predicted effect of gas pressure on polymer deposition rate also agrees with that found experimentally.