Zobrazeno 1 - 10
of 102
pro vyhledávání: '"Papior P"'
Several gamma-ray observatories have discovered photons of cosmic origin with energies in the PeV ($10^{15}\,\text{eV}$) range. Photons at these energies might be produced as by-products from particle acceleration in so-called PeVatrons, which are wi
Externí odkaz:
http://arxiv.org/abs/2410.10357
Autor:
Calogero, Gaetano, Alcón, Isaac, Kaya, Onurcan, Papior, Nick, Cummings, Aron W., Brandbyge, Mads, Roche, Stephan
Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and nanoporous graphenes (NPGs), which are gathering increasing attention fo
Externí odkaz:
http://arxiv.org/abs/2407.08310
Carbon nanoconductors are known to have extraordinary mechanical strength and interesting magnetic properties. Moreover, nanoconductors based on one- or two-dimensional carbon allotropes display a very high current-carrying capacity and ballistic tra
Externí odkaz:
http://arxiv.org/abs/2407.01750
Autor:
Sanz, Sofia, Papior, Nick, Giedke, Géza, Sánchez-Portal, Daniel, Brandbyge, Mads, Frederiksen, Thomas
Publikováno v:
J. Phys.: Condens. Matter 35, 374001 (2023)
We study theoretically electron interference in a Mach--Zehnder-like geometry formed by four zigzag graphene nanoribbons (ZGNRs) arranged in parallel pairs, one on top of the other, such that they form intersection angles of 60$^\circ$. Depending on
Externí odkaz:
http://arxiv.org/abs/2302.04821
We present a simple, first principles scheme for calculating mechanical properties of nonequilibrium bulk systems assuming an ideal ballistic distribution function for the electronic states described by the external voltage bias. This allows for fast
Externí odkaz:
http://arxiv.org/abs/2202.02358
Autor:
Sanz, Sofia, Papior, Nick, Giedke, Géza, Sánchez-Portal, Daniel, Brandbyge, Mads, Frederiksen, Thomas
Publikováno v:
Phys. Rev. Lett. 129, 037701 (2022)
Junctions composed of two crossed graphene nanoribbons (GNRs) have been theoretically proposed as electron beam splitters where incoming electron waves in one GNR can be split coherently into propagating waves in \emph{two} outgoing terminals with ne
Externí odkaz:
http://arxiv.org/abs/2201.07147
Publikováno v:
Phys. Rev. Research 3, 033017 (2021)
Shockley surface states (SS) have attracted much attention due to their role in various physical phenomena occurring at surfaces. It is also clear from experiments that they can play an important role in electron transport. However, accurate incorpor
Externí odkaz:
http://arxiv.org/abs/2103.11120
Autor:
García, Alberto, Papior, Nick, Akhtar, Arsalan, Artacho, Emilio, Blum, Volker, Bosoni, Emanuele, Brandimarte, Pedro, Brandbyge, Mads, Cerdá, J. I., Corsetti, Fabiano, Cuadrado, Ramón, Dikan, Vladimir, Ferrer, Jaime, Gale, Julian, García-Fernández, Pablo, García-Suárez, V. M., García, Sandra, Huhs, Georg, Illera, Sergio, Korytár, Richard, Koval, Peter, Lebedeva, Irina, Lin, Lin, López-Tarifa, Pablo, Mayo, Sara G., Mohr, Stephan, Ordejón, Pablo, Postnikov, Andrei, Pouillon, Yann, Pruneda, Miguel, Robles, Roberto, Sánchez-Portal, Daniel, Soler, Jose M., Ullah, Rafi, Yu, Victor Wen-zhe, Junquera, Javier
Publikováno v:
J. Chem. Phys. 152, 204108 (2020)
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-nineties, SIESTA's flexibility, efficiency and free distribution has given advanced materials simulation capabilitie
Externí odkaz:
http://arxiv.org/abs/2006.01270
Autor:
Oliveira, Micael J. T., Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M., Garcia, Alberto, Garcia-Suarez, Victor M., Genovese, Luigi, Huhn, William P., Huhs, Georg, Kokott, Sebastian, Kucukbenli, Emine, Larsen, Ask H., Lazzaro, Alfio, Lebedeva, Irina V., Li, Yingzhou, Lopez-Duran, David, Lopez-Tarifa, Pablo, Luders, Martin, Marques, Miguel A. L., Minar, Jan, Mohr, Stephan, Mostofi, Arash A., O'Cais, Alan, Payne, Mike C., Ruh, Thomas, Smith, Daniel G. A., Soler, Jose M., Strubbe, David A., Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic, i.e., regardless of how modular its internal structure may be, the cod
Externí odkaz:
http://arxiv.org/abs/2005.05756
Publikováno v:
Phys. Rev. B 101, 201406 (2020)
We extend the ab initio molecular dynamics (AIMD) method based on density functional theory to the nonequilibrium situation where an electronic current is present in the electronic system. The dynamics is treated using the semi-classical generalized
Externí odkaz:
http://arxiv.org/abs/1912.11183