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69 p, 4.2 MB |
Linear scaling quantum transport methodologies
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Fan, Zheyong (Bohai University. School of Mathematics and Physics) ;
Garcia, José H. (Institut Català de Nanociència i Nanotecnologia) ;
Cummings, Aron (Institut Català de Nanociència i Nanotecnologia) ;
Barrios Vargas, José Eduardo (Universidad Nacional Autónoma de México. Departamento de Física y Química Teórica) ;
Panhans, Michel (Technische Universität Dresden. Center for Advancing Electronics) ;
Harju, Ari (Varian Medical Systems Finland) ;
Ortmann, Frank (Institut Català de Nanociència i Nanotecnologia) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials. [...]
2021 -  10.1016/j.physrep.2020.12.001
Physics Reports, Vol. 903 (April 2021) , p. 1-69
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6 p, 1.1 MB |
Transport fingerprints at graphene superlattice Dirac points induced by a boron nitride substrate
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Martínez Gordillo, Rafael (Institut Català de Nanociència i Nanotecnologia) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia) ;
Ortmann, Frank (Institut Català de Nanociència i Nanotecnologia) ;
Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia)
We report peculiar transport fingerprints at the secondary Dirac points created by the interaction between graphene and boron nitride layers. By performing ab initio calculations, the electronic characteristics of the moiré patterns produced by the interaction between layers are first shown to be in good agreement with experimental data, and further used to calibrate the tight-binding model implemented for the transport study. [...]
2014 - 10.1103/PhysRevB.89.161401
Physical review B : Condensed matter and materials physics, Vol. 89, issue 16 (April 2014) , art. 161401
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11 p, 562.6 KB |
Spin transport in hydrogenated graphene
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Soriano, David (Institut Català de Nanociència i Nanotecnologia) ;
Dinh, Van Tuan (Institut Català de Nanociència i Nanotecnologia) ;
Dubois, Simon M. M. (Université Catholique de Louvain. Institute of Condensed Matter and Nanosciences) ;
Gmitra, Martin (University of Regensburg) ;
Cummings, Aron (Institut Català de Nanociència i Nanotecnologia) ;
Kochan, Denis (University of Regensburg) ;
Ortmann, Frank (Technische Universität Dresden) ;
Charlier, Jean Christophe (Université Catholique de Louvain. Institute of Condensed Matter and Nanosciences) ;
Fabian, Jaroslav (Universität Regensburg) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
In this review we discuss the multifaceted problem of spin transport in hydrogenated graphene from a theoretical perspective. The current experimental findings suggest that hydrogenation can either increase or decrease spin lifetimes, which calls for clarification. [...]
2015 - 10.1088/2053-1583/2/2/022002
2D Materials, Vol. 2, Núm. 2 (June 2015) , art. 22002
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17 p, 868.1 KB |
Impact of vacancies on diffusive and pseudodiffusive electronic transport in graphene
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Cresti, Alessandro (Université Grenoble Alpes) ;
Louvet, Thibaud (Institut Català de Nanociència i Nanotecnologia) ;
Ortmann, Frank (Institut Català de Nanociència i Nanotecnologia) ;
Dinh, Van Tuan (Institut Català de Nanociència i Nanotecnologia) ;
Lenarczyk, Pawel (Institut Català de Nanociència i Nanotecnologia) ;
Huhs, Georg (Barcelona Supercomputing Center) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
We present a survey of the effect of vacancies on quantum transport in graphene, exploring conduction regimes ranging from tunnelling to intrinsic transport phenomena. Vacancies, with density up to 2%, are distributed at random either in a balanced manner between the two sublattices or in a totally unbalanced configuration where only atoms sitting on a given sublattice are randomly removed. [...]
2013 - 10.3390/cryst3020289
Crystals, Vol. 3, Issue 2 (June 2013) , p. 289-305
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11 p, 9.8 MB |
Ab initio study of electron-phonon coupling in rubrene
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Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia) ;
Boskovic, Desanka (Institut Català de Nanociència i Nanotecnologia) ;
Panhans, Michel (Technische Universität Dresden) ;
Ortmann, Frank (Technische Universität Dresden)
The use of ab initio methods for accurate simulations of electronic, phononic, and electron-phonon properties of molecular materials such as organic crystals is a challenge that is often tackled stepwise based on molecular properties calculated in gas phase and perturbatively treated parameters relevant for solid phases. [...]
2017 - 10.1103/PhysRevB.96.035202
Physical review B, Vol. 96, Núm. 3 (July 2017) , art. 035202
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8.
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6 p, 1.1 MB |
Unconventional features in the quantum Hall regime of disordered graphene : Percolating impurity states and Hall conductance quantization
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Leconte, Nicolas (Institut Català de Nanociència i Nanotecnologia) ;
Ortmann, Frank (Technische Universität Dresden) ;
Cresti, Alessandro (Université Grenoble Alpes) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
We report on the formation of critical states in disordered graphene, at the origin of variable and unconventional transport properties in the quantum Hall regime, such as a zero-energy Hall conductance plateau in the absence of an energy band gap and Landau-level degeneracy breaking. [...]
2016 - 10.1103/PhysRevB.93.115404
Physical review B, Vol. 93, Núm. 11 (March 2016) , p. 115404
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8 p, 774.9 KB |
Spin dynamics and relaxation in graphene dictated by electron-hole puddles
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Dinh, Van Tuan (Institut Català de Nanociència i Nanotecnologia) ;
Ortmann, Frank (Technische Universität Dresden) ;
Cummings, Aron (Institut Català de Nanociència i Nanotecnologia) ;
Soriano, David (Institut Català de Nanociència i Nanotecnologia) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
The understanding of spin dynamics and relaxation mechanisms in clean graphene, and the upper time and length scales on which spin devices can operate, are prerequisites to realizing graphene-based spintronic technologies. [...]
2016 - 10.1038/srep21046
Scientific reports, Vol. 6 (2016) , art. 21046
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15 p, 378.5 KB |
Pseudospin-driven spin relaxation mechanism in graphene
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Dinh, Van Tuan (Institut Català de Nanociència i Nanotecnologia) ;
Ortmann, Frank (Institut Català de Nanociència i Nanotecnologia) ;
Soriano, David (Institut Català de Nanociència i Nanotecnologia) ;
Valenzuela, Sergio O. (Institut Català de Nanociència i Nanotecnologia) ;
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia) ;
Universitat Autònoma de Barcelona.
Departament de Física
The prospect of transporting spin information over long distances in graphene, possible because of its small intrinsic spin-orbit coupling (SOC) and vanishing hyperfine interaction, has stimulated intense research exploring spintronics applications. [...]
2014 - 10.1038/nphys3083
Nature Physics, Vol. 10, Núm. 11 (September 2014) , p. 857-863
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