Slabs of stabilized jellium: Quantum-size and self-compression effects

We examine thin films of two simple metals (aluminum and lithium) in the stabilized jellium model, a modification of the regular jellium model in which a constant potential is added inside the metal to stabilize the system for a given background density. We investigate quantum-size effects on the surface energy and the work function. For a given film thickness we also evaluate the density yielding energy stability, which is found to be slightly higher than the equilibrium density of the bulk system and to approach this value in the limit of thick slabs. A comparison of our self-consistent calculations with the predictions of the liquid-drop model shows the validity of this model.Comment: 7 pages, 6 figures, to appear in Phys. Rev.

Block-Diagonalization and f-electron Effects in Tight-Binding Theory

We extend a tight-binding total energy method to include f-electrons, and apply it to the study of the structural and elastic properties of a range of elements from Be to U. We find that the tight-binding parameters are as accurate and transferable for f-electron systems as they are for d-electron systems. In both cases we have found it essential to take great care in constraining the fitting procedure by using a block-diagonalization procedure, which we describe in detail.Comment: 9 pages, 6 figure

Simple DFT-LSDA modeling of the molecular-like aspects of ultra-thin film properties

Ordered ultra-thin films (UTF`s) are atomic n-layers (n = 1,2,3,...) with translational symmetry in-plane and molecular-like inter-planar spacings. Though commonly used (especially at relatively large n-values) as models of crystalline surfaces, they are intrinsically interesting and of growing technological significance as the basic building blocks of multi-layer electronic devices. Predicting the structure and properties of even a simple diatomic 1-layer means addressing aspects of molecular binding (and boundary conditions) in the context of an extended, periodically bounded system. At the level of refinement provided by the local spin density approximation to Density Functional Theory, the baseline standard of today`s predictive, chemically specific solid-state calculations, a number of technical and fundamental issues arise. The authors focus on treatment of the isolated atoms, on basis sets, and on numerical precision, as illustrated by the Fe atom and BN 1- and 2-layer calculations. Computational requirements are illustrated by a brief summary of recently completed calculations on crystalline sapphire, {alpha}-Al{sub 2}O{sub 3}, which used the same code

Energetics of metal slabs and clusters: the rectangle-box model

An expansion of energy characteristics of wide thin slab of thickness L in power of 1/L is constructed using the free-electron approximation and the model of a potential well of finite depth. Accuracy of results in each order of the expansion is analyzed. Size dependences of the work function and electronic elastic force for Au and Na slabs are calculated. It is concluded that the work function of low-dimensional metal structure is always smaller that of semi-infinite metal sample. A mechanism for the Coulomb instability of charged metal clusters, different from Rayleigh's one, is discussed. The two-component model of a metallic cluster yields the different critical sizes depending on a kind of charging particles (electrons or ions). For the cuboid clusters, the electronic spectrum quantization is taken into account. The calculated critical sizes of Ag_{N}^{2-} and Au_{N}^{3-} clusters are in a good agreement with experimental data. A qualitative explanation is suggested for the Coulomb explosion of positively charged Na_{\N}^{n+} clusters at 3<n<5.Comment: 11 pages, 6 figures, 1 tabl

Origin of complex crystal structures of elements at pressure

We present a unifying theory for the observed complex structures of the sp-bonded elements under pressure based on nearly free electron picture (NFE). In the intermediate pressure regime the dominant contribution to crystal structure arises from Fermi-surface Brillouin zone (FSBZ) interactions - structures which allow this are favoured. This simple theory explains the observed crystal structures, transport properties, the evolution of internal and unit cell parameters with pressure. We illustrate it with experimental data for these elements and ab initio calculation for Li.Comment: 4 pages 5 figure

The electronic properties of bilayer graphene

We review the electronic properties of bilayer graphene, beginning with a description of the tight-binding model of bilayer graphene and the derivation of the effective Hamiltonian describing massive chiral quasiparticles in two parabolic bands at low energy. We take into account five tight-binding parameters of the Slonczewski-Weiss-McClure model of bulk graphite plus intra- and interlayer asymmetry between atomic sites which induce band gaps in the low-energy spectrum. The Hartree model of screening and band-gap opening due to interlayer asymmetry in the presence of external gates is presented. The tight-binding model is used to describe optical and transport properties including the integer quantum Hall effect, and we also discuss orbital magnetism, phonons and the influence of strain on electronic properties. We conclude with an overview of electronic interaction effects.Comment: review, 31 pages, 15 figure

The new generation CMB B-mode polarization experiment: POLARBEAR

We describe the Cosmic Microwave Background (CMB) polarization experiment called Polarbear. This experiment will use the dedicated Huan Tran Telescope equipped with a powerful 1,200-bolometer array receiver to map the CMB polarization with unprecedented accuracy. We summarize the experiment, its goals, and current status

Ultra High Energy Cosmology with POLARBEAR

Observations of the temperature anisotropy of the Cosmic Microwave Background (CMB) lend support to an inflationary origin of the universe, yet no direct evidence verifying inflation exists. Many current experiments are focussing on the CMB's polarization anisotropy, specifically its curl component (called "B-mode" polarization), which remains undetected. The inflationary paradigm predicts the existence of a primordial gravitational wave background that imprints a unique B-mode signature on the CMB's polarization at large angular scales. The CMB B-mode signal also encodes gravitational lensing information at smaller angular scales, bearing the imprint of cosmological large scale structures (LSS) which in turn may elucidate the properties of cosmological neutrinos. The quest for detection of these signals; each of which is orders of magnitude smaller than the CMB temperature anisotropy signal, has motivated the development of background-limited detectors with precise control of systematic effects. The POLARBEAR experiment is designed to perform a deep search for the signature of gravitational waves from inflation and to characterize lensing of the CMB by LSS. POLARBEAR is a 3.5 meter ground-based telescope with 3.8 arcminute angular resolution at 150 GHz. At the heart of the POLARBEAR receiver is an array featuring 1274 antenna-coupled superconducting transition edge sensor (TES) bolometers cooled to 0.25 Kelvin. POLARBEAR is designed to reach a tensor-to-scalar ratio of 0.025 after two years of observation -- more than an order of magnitude improvement over the current best results, which would test physics at energies near the GUT scale. POLARBEAR had an engineering run in the Inyo Mountains of Eastern California in 2010 and will begin observations in the Atacama Desert in Chile in 2011.Comment: 8 pages, 6 figures, DPF 2011 conference proceeding