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By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential (IP) of (5, 5) and (7, 0) single-wall carbon nanotubes. The…

Materials Science · Physics 2008-01-15 F. Buonocore , F. Trani , D. Ninno , A. Di Matteo , G. Cantele , G. Iadonisi

We investigate the properties of conduction electrons in single-walled armchair carbon nanotubes in the presence of mutually orthogonal electric and magnetic fields transverse to the tube's axis. We find that the fields give rise to an…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Wade DeGottardi , Tzu-Chieh Wei , Victoria Fernandez , Smitha Vishveshwara

This work deals with shape optimization of electric machines using isogeometric analysis. Isogeometric analysis is particularly well suited for shape optimization as it allows to easily modify the geometry without remeshing the domain. A…

Computational Engineering, Finance, and Science · Computer Science 2021-06-03 Melina Merkel , Peter Gangl , Sebastian Schöps

Asymmetric piezoelectric composites exhibit coupling between their macroscopic linear momentum and electric field, a coupling that does not appear at the microscopic scale. This electromomentum coupling constitutes an additional knob to…

Materials Science · Physics 2022-02-23 Majd Kosta , Alan Muhafra , René Pernas Salomón , Gal Shmuel , Oded Amir

We present a tight binding theory to analyze the motion of electrons between carbon nanotubes bundled into a carbon nanotube rope. The theory is developed starting from a description of the propagating Bloch waves on ideal tubes, and the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Ahmed A. Maarouf , Charles L. Kane , Eugene J. Mele

A pristine suspended carbon nanotube is a near ideal environment to host long-lived quantum states. For this reason, they have been used as the core element of qubits and to explore numerous condensed matter physics phenomena. One of the…

Applied Physics · Physics 2024-01-09 Tim Althuon , Tino Cubaynes , Aljoscha Auer , Christoph Sürgers , Wolfgang Wernsdorfer

The optical cross sections of plasmonic nanoparticles are intricately linked to the morphology of the particle. If this connection can be made accurately enough, it would become possible to determine a particles shape solely from its…

We investigate curvature effects on geometric parameters, energetics and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely…

Materials Science · Physics 2009-11-07 O. Gulseren , T. Yildirim , S. Ciraci

We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…

We present a new approach to three-dimensional electromagnetic scattering problems via fast isogeometric boundary element methods. Starting with an investigation of the theoretical setting around the electric field integral equation within…

Numerical Analysis · Mathematics 2019-06-28 Jürgen Dölz , Stefan Kurz , Sebastian Schöps , Felix Wolf

In Yang et al. [Nature 576, 248 (2019)], the authors introduced a general theoretical framework for nanoscale electromagnetism based on Feibelman parameters. Here quantum effects of the optically excited electrons at the interface between…

Mesoscale and Nanoscale Physics · Physics 2022-03-08 Ulrich Hohenester , Gerhard Unger

Titanium surface treated with titanium oxide nanotubes was used in many studies to quantify the effect of surface topography on cell fate. However, the predicted optimal diameter of nanotubes considerably differs among studies. We propose a…

Cell Behavior · Quantitative Biology 2020-07-02 Matej Daniel , Kristina Eleršič Filipič , Eva Filová , Jaroslav Fojt

Mean-field theories have since long predicted edge magnetism in graphene nanoribbons, where the order parameter is given by the local magnetization. However, signatures of edge magnetism appears elusive in the experiments, suggesting…

Mesoscale and Nanoscale Physics · Physics 2022-07-20 T. Schmirander , D. Pfannkuche , M. Prada

We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons…

Superconductivity · Physics 2016-05-10 M. Zarenia , A. Perali , F. M. Peeters , D. Neilson

The exploration of exchange bias (EB) on the nanoscale provides a novel approach to improving the anisotropic properties of magnetic nanoparticles for prospective applications in nanospintronics and nanomedicine. However, the physical…

The article reviews recent progress in the theoretical understanding of near-field surface electromagnetic phenomena in pristine and atomically doped carbon nanotubes. The phenomena involving strong coupling effects are outlined. They are…

Mesoscale and Nanoscale Physics · Physics 2010-11-01 I. V. Bondarev

The extremely local electric field enhancement and light confinement is demonstrated in dielectric waveguide with corner and gap geometry. The numerical results reveal the local electric field enhancement in the vicinity of the apex of…

Optics · Physics 2014-07-29 Qijing Lu , Fang-Jie Shu , Chang-Ling Zou

We study by density functional and large scale tight-binding transport calculations the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 M. A. Akhukov , Shengjun Yuan , A. Fasolino , M. I. Katsnelson

Nanobem is a Matlab toolbox for the solution of Maxwell's equations for nanophotonic systems and the computation of resonance modes, sometimes also referred to as quasinormal modes or resonance states. It is based on a Galerkin scheme for…

Computational Physics · Physics 2022-05-18 Ulrich Hohenester , Nikita Reichelt , Gerhard Unger

Electrochemical biosensors and the related concept of redox detection at nanogap electrodes are increasingly explored for ultra-sensitive detection of biomolecules. While experimental demonstrations have been encouraging, the associated…

Biological Physics · Physics 2020-01-15 Sanjog V. Joshi , Pradeep R. Nair