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Computer experiments concerning interactions between a graphite surface and the rigid pyramidal nanoasperity of a friction force microscope tip when it is brought close to and retracted from the graphitic sample are presented. Covalent…

Statistical Mechanics · Physics 2010-10-19 A. V. Khomenko , N. V. Prodanov

Electronic states in boron-nitride and boron-carbon-nitride nanoribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The charge and spin polarized states are considered, and the…

Strongly Correlated Electrons · Physics 2009-09-29 Kikuo Harigaya

The formation and rupture of atomic-sized contacts is modelled by means of molecular dynamics simulations. Such nano-contacts are realized in scanning tunnelling microscope and mechanically controlled break junction experiments. These…

Mesoscale and Nanoscale Physics · Physics 2015-01-26 W. Dednam , C. Sabater , M. A. Fernandez , C. Untiedt , J. J. Palacios , M. J. Caturla

The wave equation describing the interaction of two electrons in graphene at arbitrary value of the Fermi energy $E_F$ is derived. For the solutions of this equation, we have found the explicit forms of the density and the current which…

Mesoscale and Nanoscale Physics · Physics 2019-02-22 A. I. Milstein , I. S. Terekhov

We study the role of static and dynamical Coulomb correlation effects on the electronic and magnetic properties of individual Mn, Fe and Co adatoms deposited on the CuN surface. For these purposes, we construct a realistic Anderson model,…

Strongly Correlated Electrons · Physics 2015-06-15 V. V. Mazurenko , S. N. Iskakov , A. N. Rudenko , I. V. Kashin , O. M. Sotnikov , M. V. Valentyuk , A. I. Lichtenstein

We present a collection of experimental evidence on UFOs: Unidentified Ferromagnetic Organic structures. Five types of carbon magnets have been obtained experimentally: 1. Chains of interacting radicals 2. Carbonaceous substances with a…

Materials Science · Physics 2007-05-23 Tatiana Makarova

The quantum-mechanical orbitals in carbon nanotubes are doubly degenerate over a large number of states in the Coulomb blockade regime. We argue that this experimental observation indicates that electrons are reflected without mode mixing…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 A. Makarovski , L. An , J. Liu , G. Finkelstein

We probe the strength of electron-electron interactions using magnetoconductivity measurements of two-dimensional non-degenerate electrons on liquid helium at 1.22 K. Our data extend to electron densities that are two orders of magnitude…

Strongly Correlated Electrons · Physics 2007-05-23 I. Karakurt , A. J. Dahm

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

The form of an effective electron-electron interaction in a quantum wire with a large static dielectric constant is determined and the resulting properties of the electron liquid in such a one-dimensional system are described. The exchange…

Strongly Correlated Electrons · Physics 2009-10-31 K. Byczuk , T. Dietl

Interaction of single-walled carbon nanotubes with electron donor and acceptor molecules causes significant changes in the electronic and Raman spectra, the relative proportion of the metallic species increasing on electron donation through…

Materials Science · Physics 2008-05-29 Rakesh Voggu , Chandra Sekhar Rout , Aaron D. Franklin , Timothy S. Fisher , C. N. R. Rao

Through molecular mechanics we find that non-covalent interactions modify the fractality of crumpled damaged graphene. Pristine graphene membranes are damaged by adding random vacancies and carbon-hydrogen bonds. Crumpled membranes exhibit…

Mesoscale and Nanoscale Physics · Physics 2016-05-24 I. Giordanelli , M. Mendoza , J. S. Andrade, , M. A. F. Gomes , H. J. Herrmann

The effect of the electron-electron cusp on the convergence of configuration interaction (CI) wave functions is examined. By analogy with the pseudopotential approach for electron-ion interactions, an effective electron-electron interaction…

Strongly Correlated Electrons · Physics 2009-11-07 David Prendergast , M. Nolan , Claudia Filippi , Stephen Fahy , J. C. Greer

The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…

Mesoscale and Nanoscale Physics · Physics 2021-01-20 I. V. Boyko , M. R. Petryk

We present the coupling of two frameworks -- the pseudo-open boundary simulation method known as constant potential Molecular Dynamics simulations (C$\mu$MD), combined with QMMD calculations -- to describe the properties of graphene…

Materials Science · Physics 2023-04-19 Nicodemo Di Pasquale , Aaron R. Finney , Joshua Elliott , Paola Carbone , Matteo Salvalaglio

Electronic states in nanographite ribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The electronic states with the opposite electric charges separated along both edges are…

Quantum Physics · Physics 2007-05-23 Kikuo Harigaya

To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 =…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 T. O. Wehling , E. Sasioglu , C. Friedrich , A. I. Lichtenstein , M. I. Katsnelson , S. Blügel

Properties of the "electron gas" - in which conduction electrons interact by means of Coulomb forces but ionic potentials are neglected - change dramatically depending on the balance between kinetic energy and Coulomb repulsion. The limits…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Amit Ghosal , A. D. Guclu , C. J. Umrigar , Denis Ullmo , Harold U. Baranger

We report on an optical method to directly measure electron-phonon coupling in carbon nanotubes by correlating the first and second harmonic of the resonant Raman excitation profile. The method is applicable to 1D and 0D systems and is not…

Materials Science · Physics 2007-05-23 Y. Yin , A. Vamivakas , A. Walsh , S. Cronin , M. S. Unlu , B. B Goldberg , A. K. Swan

The electron distribution of open-ended single-walled carbon nanotubes with chirality indexes (7,0) and (5,5) in the field emission conditions was calculated via a multi-scaled algorithm. The field emission images were produced numerically.…

Materials Science · Physics 2012-09-05 Weiliang Wang , Ningsheng Xu , Zhibing Li
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