This article reviews the electronic and transport properties of carbon nanotubes. The focus is mainly theoretical, but when appropriate the relation with experimental results is mentioned. While simple band-folding arguments will be invoked to rationalize how the metallic or semiconducting character of nanotubes is inferred from their topological structure, more sophisticated tight-binding and ab initio treatments will be introduced to discuss more subtle physical effects, such as those induced by curvature, tube-tube interactions, or topological defects. The same approach will be followed for transport properties. The fundamental aspects of conduction regimes and transport length scales will be presented using simple models of disorder, with the derivation of a few analytic results concerning specific situations of shortand long-range static perturbations. Further, the latest developments in semiempirical or ab initio simulations aimed at exploring the effect of realistic static scatterers chemical impurities, adsorbed molecules, etc. or inelastic electron-phonon interactions will be emphasized. Finally, specific issues, going beyond the noninteracting electron model, will be addressed, including excitonic effects in optical experiments, the Coulomb-blockade regime, and the Luttinger liquid, charge density waves, or superconducting transition.

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Electronic and transport properties of nanotubes

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Electronic Transport In Mesoscopic Systems

Journal of Physics Condensed Matter: Preface

Separation of polar compounds on polar stationary phases with partly aqueous eluents is by no means a new separation mode in LC. The first HPLC applications were published more than 30 years ago, and were for a long time mostly confined to carbohydrate analysis. In the early 1990s new phases started to emerge, and the practice was given a name, hydrophilic interaction chromatography (HILIC). Although the use of this separation mode has been relatively limited, we have seen a sudden increase in popularity over the last few years, promoted by the need to analyze polar compounds in increasingly complex mixtures. Another reason for the increase in popularity is the widespread use of MS coupled to LC. The partly aqueous eluents high in ACN with a limited need of adding salt is almost ideal for ESI. The applications now encompass most categories of polar compounds, charged as well as uncharged, although HILIC is particularly well suited for solutes lacking charge where coulombic interactions cannot be used to mediate retention. The review attempts to summarize the ongoing discussion on the separation mechanism and gives an overview of the stationary phases used and the applications addressed with this separation mode in LC.

Hydrophilic interaction chromatography.

This review describes recent groundbreaking results in Si, Si/SiGe, and dopant-based quantum dots, and it highlights the remarkable advances in Si-based quantum physics that have occurred in the past few years. This progress has been possible thanks to materials development of Si quantum devices, and the physical understanding of quantum effects in silicon. Recent critical steps include the isolation of single electrons, the observation of spin blockade, and single-shot readout of individual electron spins in both dopants and gated quantum dots in Si. Each of these results has come with physics that was not anticipated from previous work in other material systems. These advances underline the significant progress toward the realization of spin quantum bits in a material with a long spin coherence time, crucial for quantum computation and spintronics.

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Silicon quantum electronics

Dark matter in the sub-GeV mass range is a theoretically motivated but largely unexplored paradigm. Such light masses are out of reach for conventional nuclear recoil direct detection experiments, but may be detected through the small ionization signals caused by dark matter-electron scattering. Semiconductors are well-studied and are particularly promising target materials because their $$ \mathcal{O} $$
 (1 eV) band gaps allow for ionization signals from dark matter particles as light as a few hundred keV. Current direct detection technologies are being adapted for dark matter-electron scattering. In this paper, we provide the theoretical calculations for dark matter-electron scattering rate in semiconductors, overcoming several complications that stem from the many-body nature of the problem. We use density functional theory to numerically calculate the rates for dark matter-electron scattering in silicon and germanium, and estimate the sensitivity for upcoming experiments such as DAMIC and SuperCDMS. We find that the reach for these upcoming experiments has the potential to be orders of magnitude beyond current direct detection constraints and that sub-GeV dark matter has a sizable modulation signal. We also give the first direct detection limits on sub-GeV dark matter from its scattering off electrons in a semiconductor target (silicon) based on published results from DAMIC. We make available publicly our code, QEdark
 , with which we calculate our results. Our results can be used by experimental collaborations to calculate their own sensitivities based on their specific setup. The searches we propose will probe vast new regions of unexplored dark matter model and parameter space.

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Direct detection of sub-GeV dark matter with semiconductor targets

How are water’s material properties encoded within the structure of the water molecule? This is pertinent to understanding Earth’s living systems, its materials, its geochemistry and geophysics, and a broad spectrum of its industrial chemistry. Water has distinctive liquid and solid properties: It is highly cohesive. It has volumetric anomalies—water’s solid (ice) floats on its liquid; pressure can melt the solid rather than freezing the liquid; heating can shrink the liquid. It has more solid phases than other materials. Its supercooled liquid has divergent thermodynamic response functions. Its glassy state is neither fragile nor strong. Its component ions—hydroxide and protons—diffuse much faster than other ions. Aqueous solvation of ions or oils entails large entropies and heat capacities. We review how these properties are encoded within water’s molecular structure and energies, as understood from theories, simulations, and experiments. Like simpler liquids, water molecules are nearly spherical and in...

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How Water's Properties Are Encoded in Its Molecular Structure and Energies.

It is known that ab initio molecular dynamics (AIMD) simulations of liquid water at ambient conditions, based on the generalized gradient approximation (GGA) to density functional theory (DFT), with commonly used functionals fail to produce structural and diffusive properties in reasonable agreement with experiment. This is true for canonical, constant temperature simulations where the density of the liquid is fixed to the experimental density. The equilibrium density, at ambient conditions, of DFT water has recently been shown by Schmidt et al. [J. Phys. Chem. B, 113, 11959 (2009)] to be underestimated by different GGA functionals for exchange and correlation, and corrected by the addition of interatomic pair potentials to describe van der Waals (vdW) interactions. In this contribution we present a DFT-AIMD study of liquid water using several GGA functionals as well as the van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)]. As expected, we find that the density of water is grossly underestimated by GGA functionals. When a vdW-DF is used, the density improves drastically and the experimental diffusivity is reproduced without the need of thermal corrections. We analyze the origin of the density differences between all the functionals. We show that the vdW-DF increases the population of non-H-bonded interstitial sites, at distances between the first and second coordination shells. However, it excessively weakens the H-bond network, collapsing the second coordination shell. This structural problem is partially associated to the choice of GGA exchange in the vdW-DF. We show that a different choice for the exchange functional is enough to achieve an overall improvement both in structure and diffusivity.

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Density, structure, and dynamics of water: The effect of van der Waals interactions

We compute the subband structure of several group IV and III-V 001-, 110-, and 111-oriented nanowires using sp 3 and sp 3 d 5 s * tight-binding models. In particular, we provide the band gap energy of the nanowires as a function of their radius R in the range R =1–2 0 nm. Wethen discuss the self-energy corrections to the tight-binding subband structure, that arise from the dielectric mismatch between the nanowires with dielectric constant in and their environment with dielectric constant out. These self-energy corrections substantially open the band gap of the nanowires when in out, and decrease slower 1/ R than quantum confinement with increasing R. They are thus far from negligible in most experimental setups. We introduce a semi-analytical model for practical use. This semianalytical model is found in very good agreement with

Electronic structure of semiconductor nanowires

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Marivi Fernandez-Serra

Papers

Direct detection of sub-GeV dark matter with semiconductor targets

How Water's Properties Are Encoded in Its Molecular Structure and Energies.

Density, structure, and dynamics of water: The effect of van der Waals interactions

Electronic structure of semiconductor nanowires

Density, structure and dynamics of water: the effect of Van der Waals interactions