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In a recent paper Liang {\it et al.} [Nature {\bf 411}, 665 (2001)] showed experimentally, that metallic nanotubes, strongly coupled to external electrodes, may act as coherent molecular waveguides for electronic transport. The experimental…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. Krompiewski , J. Martinek , J. Barnas

We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 G. Cuniberti , R. Gutierrez , G. Fagas , F. Grossmann , K. Richter , R. Schmidt

Interference effects in finite sections of one-dimensional moir\'e crystals are investigated using a Landauer-B\"uttiker formalism within the tight-binding approximation. We explain interlayer transport in double-wall carbon nanotubes and…

Mesoscale and Nanoscale Physics · Physics 2021-08-03 Nils Wittemeier , Matthieu J. Verstraete , Pablo Ordejón , Zeila Zanolli

We performed studies of coherent electronic transport through a single walled carbon nanotube. In the calculations multiple scattering on the contacts and interference processes were taken into account. Conductance is a composition of…

Materials Science · Physics 2016-08-31 W. Iwo Babiaczyk , Bogdan. R. Bulka

An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 G. Fagas , G. Cuniberti , K. Richter

The ability to control the conductance of single molecules will have a major impact in nanoscale electronics. Azobenzene, a molecule that changes conformation as a result of a trans/cis transition when exposed to radiation, could form the…

Mesoscale and Nanoscale Physics · Physics 2008-11-26 Miriam del Valle , Rafael Gutierrez , Carlos Tejedor , Gianaurelio Cuniberti

We discuss the conductance of a molecular bridge between mesoscopic electrodes supporting low-dimensional transport and bearing an internal structure. As an example for such nanoelectrodes we assume semi-infinite (carbon) nanotubes. In the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 G. Fagas , G. Cuniberti , K. Richter

Destructive quantum interference in electron transport through molecules provides an unconventional route for suppressing electric current. In this work we introduce "interference vectors" for each interference and use them to characterize…

Mesoscale and Nanoscale Physics · Physics 2017-07-20 Panu Sam-ang , Matthew G. Reuter

We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 R. Gutierrez , G. Fagas , G. Cuniberti , F. Grossmann , R. Schmidt , K. Richter

Linear transport through a single-walled carbon nanotube ring (CNR), pierced by a magnetic field and capacitively coupled to a gate voltage source, is investigated starting from a model of interacting $p_z$-electrons. The dc-conductance,…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M. Eroms , L. Mayrhofer , M. Grifoni

Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

Quantum transport through the junction between two metallic carbon nanotubes connected by intertube links has been studied within the TB method and Landauer formula. It is found that the conductance oscillates with both of the coupling…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Jia-Lin Zhu , Fu-fang Xu , Yu-feng Jia

Structure-function relationships constitute an important tool to investigate the fundamental principles of molecular electronics. Most commonly, this involves identifying a potentially important molecular structural element, followed by…

Effect of contact interfaces, between metallic single-wall carbon nanotubes (SWCNT) and external electrodes made also of nanotubes, on the electrical conductance is studied. A tight-binding model with both diagonal and off-diagonal…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 S. Krompiewski

Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…

Other Condensed Matter · Physics 2015-05-13 Nicolas A. Bruque , M. K. Ashraf , Roger K. Lake

Silicene (a monolayer of silicon atoms) is a quantum spin-Hall insulator, which undergoes a topological phase transition into other insulators by applying external field such as electric field, photo-irradiation and antiferromagnetic order.…

Mesoscale and Nanoscale Physics · Physics 2013-05-07 Motohiko Ezawa

The effects of different contact geometries, bond dimerization, and gate voltage on quantum transport through a C$_{60}$ molecule are studied by the Landauer-B\"{u}ttiker formula based on the Green's function technique. It is shown that the…

Mesoscale and Nanoscale Physics · Physics 2008-08-12 Alireza Saffarzadeh

We develop in this paper a theoretical framework that applies to the intermediate regime between the Coulomb blockade and the Luttinger liquid behavior in multi-walled carbon nanotubes. Our main goal is to confront the experimental…

Strongly Correlated Electrons · Physics 2009-11-11 S. Bellucci , J. Gonzalez , P. Onorato , E. Perfetto

The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 K. A. Al-Hassanieh , C. A. Büsser , G. B. Martins , E. Dagotto
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