Fractional charge revealed in computer simulations of resonant tunneling in the fractional quantum Hall regime

The concept of fractional charge is central to the theory of the fractional quantum Hall effect. Here I use exact diagonalization as well as configuration space renormalization to study finite clusters which are large enough to contain two independent edges. I analyze the conditions of resonant tunneling between the two edges. The "computer experiment" reveals a periodic sequence of resonant tunneling events consistent with the experimentally observed fractional quantization of electric charge in units of e/3 and e/5.     

Spin-glass, antiferromagnetism and kondo behavior in Ce2Au1−x Co x Si3 alloys

Recently, the solid solution Ce₂Au_{1− x Co} xSi₃ has been shown to exhibit many magnetic anomalies associated with the competition between magnetic ordering and the Kondo effect. Here we report high pressure electrical resistivity of Ce₂AuSi₃, ac susceptibility (X) and magnetoresistance of various alloys of this solid solution in order to gain better knowledge of the magnetism of these alloys. High pressure resistivity behavior is consistent with the proposal that Ce₂AuSi₃ lies at the left-hand side of the maximum in Doniach’s magnetic phase diagram. The ac X data reveal that there are in fact two magnetic transitions, one at 2 K and the other at 3 K for this compound, both of which are spin-glass-like. However, as the Co concentration is increased, antiferromagnetism is stabilized for intermediate compositions before attaining non-magnetism for the Co end member.     

The growth of a single crystal of Sr3CuIrO6 and its magnetic behavior compared to polycrystals

We have grown single crystals of the psuedo-one-dimensional compound Sr₃CuIrO₆, a K₄CdCl₆-derived monoclinic structure with Cu-Ir chains along the [101] direction. We present the ac and dc magnetization behavior of the single crystals in comparison with that of the polycrystalline form reported earlier. There is a distinct evidence for at least two magnetic transitions, at 5 K (T ₁) and 19 K (T ₂), with different relative magnitudes in the single and polycrystals. The low temperature magnetic relaxation behavior of both the forms is found to be widely different, exhibiting unexpected time dependence.     

Polarization forces in water deduced from single molecule data

The intermolecular electrostatic and polarization interactions in water are determined using a minimal atomic multipole model constructed with distributed polarizabilities. Hydrogen bonding and other properties of water-water interactions are reproduced by only three multipoles mu(H), mu(O), and theta(O) and two polarizabilities alpha(O) and alpha(H), which characterize a single water molecule and are deduced from single-molecule data.     

Polarization in organic molecular crystals and charge-transfer salts

Polarization in insulators is a general phenomenon that extends over nanometer distances. Two special cases illustrate recent theoretical progress. Polarization energies of localized charges in organic molecular crystals exceed the bandwidth and redistribute the charge density. A systematic treatment of electronic polarization is summarized in the limit of zero intermolecular overlap for pentacene crystals or thin films on metallic substrates, with special attention to the transport gap for producing a separated electron–hole pair and the optical dielectric tensor of the crystal. When overlap cannot be neglected, the general formulation of polarization in extended insulators is in terms of the exact ground state's phase. This formulation is applied to organic charge-transfer (CT) salts whose correlated electronic structure is described by one-dimensional Peierls–Hubbard models. Near the Peierls instability, coupling to lattice modes generates large peaks in the dielectric response that is primarily due to lattice vibrations. Comparisons with experiment are mentioned for both organic molecular crystals and CT salts.     

Rules for minimal atomic multipole expansion of molecular fields

A nonempirical minimal atomic multipole expansion (MAME) defines atomic charges or higher multipoles that reproduce electrostatic potential outside molecules. MAME eliminates problems associated with redundancy and with statistical sampling, and produces atomic multipoles in line with chemical intuition.     

Variational procedure and generalized Lanczos recursion for small-amplitude classical oscillations

A variational procedure is developed which yields the lowest frequencies of small-amplitude oscillations of classical Hamiltonian systems. The genuine Lanczos recursion is generalized to treat related non-Hermitian eigenvalue problems. Pis’ma Zh. éksp. Teor. Fiz. 70, No. 11, 740–743 (10 December 1999) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Polarization energies,transport gap and charge transfer states of organic molecular crystals

A self-consistent calculation of electronic polarization in organic molecular crystals and thin films is presented in terms of charge redistribution in nonoverlapping molecules in a lattice. The polarization energies P₊ and P₋ of a molecular cation and anion are found for anthracene and perelynetetracarboxylic dianhydride (PTCDA), together with binding energies of ion pairs and transport gaps of PTCDA films on metallic substrates. The 500 meV variation of P₊+P₋ with film thickness agrees with experiment, as do calculated dielectric tensors. Comparisons are made to submolecular calculations in crystals.