1,668 research outputs found
Orbital-Peierls State in NaTiSi2O6
Does the quasi one-dimensional titanium pyroxene NaTiSi2O6 exhibit the novel
{\it orbital-Peierls} state? We calculate its groundstate properties by three
methods: Monte Carlo simulations, a spin-orbital decoupling scheme and a
mapping onto a classical model. The results show univocally that for the spin
and orbital ordering to occur at the same temperature --an experimental
observation-- the crystal field needs to be small and the orbitals are active.
We also find that quantum fluctuations in the spin-orbital sector drive the
transition, explaining why canonical bandstructure methods fail to find it. The
conclusion that NaTiSi2O6 shows an orbital-Peierls transition is therefore
inevitable.Comment: 4 pages, 3 figure
Optical conductivity in A3C60 (A=K, Rb)
We study the optical conductivity in A3C60 (A =K, Rb). The effects of the
electron-phonon interaction is included to lowest order in the coupling
strength lambda. It is shown that this leads to a narrowing of the Drude peak
by a factor 1+lambda and a transfer of weight to a mid-infrared peak at
somewhat larger energies than the phonon energy. Although this goes in the
right direction, it is not sufficient to describe experiment.Comment: 5 pages, revtex, 2 figures more information at
http://librix.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene
Non conventional screening of the Coulomb interaction in low dimensional and finite size system
We study the screening of the Coulomb interaction in non polar systems by
polarizable atoms. We show that in low dimensions and small finite size systems
this screening deviates strongly from that conventionally assumed. In fact in
one dimension the short range interaction is strongly screened and the long
range interaction is anti-screened thereby strongly reducing the gradient of
the Coulomb interaction and therefore the correlation effects. We argue that
this effect explains the success of mean field single particle theories for
large molecules.Comment: 4 pages, 5 figure
Probabilistic risk assessment of the environmental impacts of pesticides in the Crocodile (west) Marico catchment, North-West Province
External agricultural inputs, such as pesticides, may pose risks to aquatic ecosystems and affect aquatic populations, communities and ecosystems. To predict these risks, a tiered approach was followed, incorporating both the PRIMET and PERPEST models. The first-tier PRIMET model is designed to yield a relatively worst-case risk assessment requiring a minimum of input data, after which the effects of the risks can be refined using a higher tier PERPEST model. The risk assessment initially depends on data supplied from local landowners, pesticide characteristic, application scheme and physical scenario of the environment under question. Preliminary results are presented, together with ecotoxicological data on several frequently-used pesticides in a section of the Crocodile (west) Marico Water Management Area (WMA) in South Africa. This area is historically known to have a high pesticide usage, with deltamethrin, aldicarb, parathion, cypermethrin and dichlorvos being the main pesticides used. Deltamethrin was indicated as having the highest probability of risks to aquatic organisms occurring in the study area. Cypermethrin, parathion, dichlorvos, carbaryl, romoxynil, linuron, methomyl and aldicarb were all indicated as having possible risks (ETR 1-100) to the aquatic environment. Pesticides posing no risk included fenamiphos, abamectin, pendimethalin, captan, endosulfan, alachlor, bentazone and cyromazine (ET
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