Effect of dimensionality on the charge-density-wave in few-layers 2H-NbSe2_2

We investigate the charge density wave (CDW) instability in single and double layers, as well as in the bulk 2H-NbSe$_{2}$. We demonstrate that the density functional theory correctly describes the metallic CDW state in the bulk 2H-NbSe$_{2}$. We predict that both mono- and bilayer NbSe$_{2}$ undergo a CDW instability. However, while in the bulk the instability occurs at a momentum $\mathbf{q}_{CDW}\approx{2/3}\mathbf{\Gamma M}$, in free-standing layers it occurs at $\mathbf{q}_{CDW}\approx{1/2}\mathbf{\Gamma M}$. Furthermore, while in the bulk the CDW leads to a metallic state, in a monolayer the ground state becomes semimetallic, in agreement with recent experimental data. We elucidate the key role that an enhancement of the electron-phonon matrix element at $\mathbf{q}\approx\mathbf{q}_{CDW}$ plays in forming the CDW ground state.Comment: 4 pages 5 figure

Effects of magnetism and doping on the electron-phonon coupling in BaFe2_{2}As2_{2}

We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe$_{2}$As$_{2}+\delta$ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by $\sim 50$, up to $\lambda \lesssim 0.35$, still not enough to explain the high critical temperature, but strong enough to have a non-negligible effect on superconductivity, for instance, by frustrating the coupling with spin fluctuations and inducing order parameter nodes. The enhancement comes mostly from a renormalization of the electron-phonon matrix elements. We also investigate, in the rigid band approximation, the effect of doping, and find that $\lambda$ versus doping does not mirror the behavior of the density of states; while the latter decreases upon electron doping, the former does not, and even increases slightly.Comment: 4 pages, 3 figure

Poisson equation and self-consistent periodical Anderson model

We show that the formally exact expression for the free energy (with a non-relativistic Hamiltonian) for the correlated metal generates the Poisson equation within the saddle-point approximation for the electric potential, where the charge density automatically includes correlations. In this approximation the problem is reduced to the self-consistent periodical Anderson model (SCPAM). The parameter of the mixing interaction in this formulation have to be found self-consistently together with the correlated charge density. The factors, calculated by Irkhin, for the mixing interaction, which reflect the structure of the many-electron states of the \f-ion involved, arise automatically in this formulation and are quite sensitive to the specific element we are interested in. We also discuss the definitions of the mixing interaction for the mapping from ab initio to model calculations.Comment: 25 pages, no figure

Effects of phase transitions in devices actuated by the electromagnetic vacuum force

We study the influence of the electromagnetic vacuum force on the behaviour of a model device based on materials, like germanium tellurides, that undergo fast and reversible metal-insulator transitions on passing from the crystalline to the amorphous phase. The calculations are performed at finite temperature and fully accounting for the behaviour of the material dielectric functions. The results show that the transition can be exploited to extend the distance and energy ranges under which the device can be operated without undergoing stiction phenomena. We discuss the approximation involved in adopting the Casimir expression in simulating nano- and micro- devices at finite temperature

Saturation of electrical resistivity

Resistivity saturation is observed in many metallic systems with a large resistivity, i.e., when the resistivity has reached a critical value, its further increase with temperature is substantially reduced. This typically happens when the apparent mean free path is comparable to the interatomic separations - the Ioffe-Regel condition. Recently, several exceptions to this rule have been found. Here, we review experimental results and early theories of resistivity saturation. We then describe more recent theoretical work, addressing cases both where the Ioffe-Regel condition is satisfied and where it is violated. In particular we show how the (semiclassical) Ioffe-Regel condition can be derived quantum-mechanically under certain assumptions about the system and why these assumptions are violated for high-Tc cuprates and alkali-doped fullerides.Comment: 16 pages, RevTeX, 15 eps figures, additional material available at http://www.mpi-stuttgart.mpg.de/andersen/saturation

Screening, Coulomb pseudopotential, and superconductivity in alkali-doped Fullerenes

We study the static screening in a Hubbard-like model using quantum Monte Carlo. We find that the random phase approximation is surprisingly accurate almost up to the Mott transition. We argue that in alkali-doped Fullerenes the Coulomb pseudopotential $\mu^\ast$ is not very much reduced by retardation effects. Therefore efficient screening is important in reducing $\mu^{\ast}$ sufficiently to allow for an electron-phonon driven superconductivity. In this way the Fullerides differ from the conventional picture, where retardation effects play a major role in reducing the electron-electron repulsion.Comment: 4 pages RevTeX with 2 eps figures, additional material available at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene

Spin liquid ground state in a two dimensional non-frustrated spin model

We consider an exchange model describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on the square lattice. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit, and is known to show a spin-Peierls-like dimerization in one dimension. In two dimensions we calculate energy gaps, susceptibilities, and correlation functions with a Green's Function Monte Carlo. We find a finite spin gap and no evidence of any kind of order. We conclude that the ground state is, most likely, a spin liquid of resonating valence bonds.Comment: 4 pages, 4 figures, Revte

Insights into GABA receptor signalling in TM3 Leydig cells

gamma-Aminobutyric acid (GABA) is an emerging signalling molecule in endocrine organs, since it is produced by endocrine cells and acts via GABA(A) receptors in a paracrine/autocrine fashion. Testicular Leydig cells are producers and targets for GABA. These cells express GABA(A) receptor subunits and in the murine Leydig cell line TM3 pharmacological activation leads to increased proliferation. The signalling pathway of GABA in these cells is not known in this study. We therefore attempted to elucidate details of GABA(A) signalling in TM3 and adult mouse Leydig cells using several experimental approaches. TM3 cells not only express GABA(A) receptor subunits, but also bind the GABA agonist {[}H-3] muscimol with a binding affinity in the range reported for other endocrine cells (K-d = 2.740 +/- 0.721 nM). However, they exhibit a low B-max value of 28.08 fmol/mg protein. Typical GABA(A) receptor-associated events, including Cl- currents, changes in resting membrane potential, intracellular Ca2+ or cAMP, were not measurable with the methods employed in TM3 cells, or, as studied in part, in primary mouse Leydig cells. GABA or GABA(A) agonist isoguvacine treatment resulted in increased or decreased levels of several mRNAs, including transcription factors (c-fos, hsf-1, egr-1) and cell cycle-associated genes (Cdk2, cyclin D1). In an attempt to verify the cDNA array results and because egr-1 was recently implied in Leydig cell development, we further studied this factor. RT-PCR and Western blotting confirmed a time-dependent regulation of egr-1 in TM3. In the postnatal testis egr-1 was seen in cytoplasmic and nuclear locations of developing Leydig cells, which bear GABA(A) receptors and correspond well to TM3 cells. Thus, GABA acts via an untypical novel signalling pathway in TM3 cells. Further details of this pathway remain to be elucidated. Copyright (c) 2005 S. Karger AG, Base

Long range Neel order in the triangular Heisenberg model

We have studied the Heisenberg model on the triangular lattice using several Quantum Monte Carlo (QMC) techniques (up to 144 sites), and exact diagonalization (ED) (up to 36 sites). By studying the spin gap as a function of the system size we have obtained a robust evidence for a gapless spectrum, confirming the existence of long range Neel order. Our best estimate is that in the thermodynamic limit the order parameter m= 0.41 +/- 0.02 is reduced by about 59% from its classical value and the ground state energy per site is e0=-0.5458 +/- 0.0001 in unit of the exchange coupling. We have identified the important ground state correlations at short distance.Comment: 4 pages, RevTeX + 4 encapsulated postscript figure