Resultados globales: 31 registros encontrados en 0.02 segundos.
Artículos, Encontrados 26 registros
Documentos de investigación, Encontrados 5 registros
Artículos Encontrados 26 registros  1 - 10siguientefinal  ir al registro:
1.
12 p, 1.6 MB Spin Proximity Effects in Graphene/Topological Insulator Heterostructures / Song, Kenan (Institut Català de Nanociència i Nanotecnologia) ; Soriano, David (QuantaLab and International Iberian Nanotechnology Laboratory) ; Cummings, Aron W. (Institut Català de Nanociència i Nanotecnologia) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)
Enhancing the spin-orbit interaction in graphene, via proximity effects with topological insulators, could create a novel 2D system that combines nontrivial spin textures with high electron mobility. [...]
2018 - 10.1021/acs.nanolett.7b05482
Nano letters, Vol. 18, Issue 3 (March 2018) , p. 2033-2039  
2.
11 p, 614.3 KB Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian / Cuadrado, Ramón (Institut Català de Nanociència i Nanotecnologia) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; García, Alberto (Institut de Ciència de Materials de Barcelona) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
An accurate and efficient general method to constrain the magnetization of individual atoms or groups of atoms within a fully relativistic non-collinear spin density functional theory formalism is presented and implemented within the SIESTA code. [...]
2018 - 10.1088/2515-7639/aae7db
Journal of physics: Materials, Vol. 1, Núm. 1 (November 2018) , art. 015010  
3.
18 p, 4.7 MB Quasiparticle spectra of 2H-NbSe2 : two-band superconductivity and the role of tunneling selectivity / Noat, Y. (Institut des Nanosciences de Paris) ; Silva Guillén, José Ángel (Institut Català de Nanociència i Nanotecnologia) ; Cren, T. (Institut des Nanosciences de Paris) ; Cherkez, V. (Institut des Nanosciences de Paris) ; Brun, C. (Institut des Nanosciences de Paris) ; Pons, S. (Institut des Nanosciences de Paris) ; Debontridder, F. (Institut des Nanosciences de Paris) ; Roditchev, D. (Institut des Nanosciences de Paris) ; Sacks, W. (Université Paris 6) ; Cario, L. (Institut des Matériaux Jean Rouxel) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; García, Alberto (Institut de Ciència de Materials de Barcelona) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona)
We have studied the superconducting state of 2H-NbSe2 by scanning tunneling spectroscopy along two different crystal orientations, the c and the a/b axes. Along the c axis a large gap is dominant in the spectra, while a smaller gap is measured along the a/b axis. [...]
2015 - 10.1103/PhysRevB.92.134510
Physical review B, Vol. 92, Issue 13 (October 2015) , art. 134510  
4.
8 p, 1.5 MB Tunneling and electronic structure of the two-gap superconductor MgB2 / Silva Guillén, José Ángel (Institut Català de Nanociència i Nanotecnologia) ; Noat, Y. (Institut des Nanosciences de Paris) ; Cren, T. (Institut des Nanosciences de Paris) ; Sacks, W. (Institut des Nanosciences de Paris) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
A combined experimental (superconductor-insulator-superconductor tunneling spectra) and theoretical (density functional theory) study of the two-gap superconductor MgB2 is reported. The calculations confirm that the small gap is associated with a π band mostly based on the boron pz orbitals leading to the three-dimensional band component of the Fermi surface. [...]
2015 - 10.1103/PhysRevB.92.064514
Physical review B, Vol. 92, Issue 6 (August 2015) , art. 64514  
5.
8 p, 6.8 MB Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore / Feliciano, Gustavo T. (Universidade Federal Do ABC) ; Sanz Navarro, Carlos (Institut Català de Nanociència i Nanotecnologia) ; Coutinho-Neto, Mauricio Domingues (Universidade Federal Do ABC) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Scheicher, Ralph H. (Uppsala University. Department of Physics and Astronomy) ; Rocha, Alexandre Reily (Universidade Estadual Paulista)
The advent of parallelized automated methods for rapid whole-genome analysis has led to an exponential drop in costs, thus greatly accelerating biomedical research and discovery. Third-generation sequencing techniques, which would utilize the characteristic electrical conductance of the four different nucleotides, could facilitate longer base read lengths and an even lower price per genome. [...]
2015 - 10.1103/PhysRevApplied.3.034003
Physical review applied, Vol. 3, Issue 3 (March 2015) , art. 34003  
6.
14 p, 2.2 MB Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS3 : electron doping and plasmons / Silva Guillén, José Ángel (Fundación IMDEA Nanociencia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Guinea, Francisco (University of Manchester. Department of Physics and Astronomy) ; Roldán, Rafael (Instituto de Ciencia de Materiales de Madrid)
Analysis of the band structure of TiS single-layers suggests the possibility of changing their physical behaviour by injecting electron carriers. The anisotropy of the valence and conduction bands is explained in terms of their complex orbital composition. [...]
2017 - 10.1088/2053-1583/aa6b92
2D Materials, Vol. 4, Núm. 2 (June 2017) , art. 25085  
7.
16 p, 836.4 KB Coexistence of elastic modulations in the charge density wave state of 2H-NbSe₂ / Guster, Bogdan (Institut Català de Nanociència i Nanotecnologia) ; Rubio Verdú, Carmen (CIC NanoGUNE700) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Zaldívar, Javier (CIC NanoGUNE) ; Dreher, Paul (Donostia International Physics Center) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Silva Guillén, José Ángel (Wuhan University. School of Physics and Technology) ; Choi, Deung-Jang (Donostia International Physics Center) ; Pascual, José I. (CIC NanoGUNE) ; Ugeda, Miguel M. (CIC NanoGUNE) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona)
Bulk and single-layer 2H-NbSe₂ exhibit identical charge density wave order (CDW) with a quasi-commensurate 3 × 3 superlattice periodicity. Here we combine scanning tunnelling microscopy (STM) imaging at T = 1 K of 2H-NbSe₂ with first-principles density functional theory (DFT) calculations to investigate the structural atomic rearrangement of this CDW phase. [...]
2019 - 10.1021/acs.nanolett.9b00268
Nano letters, Vol. 19, issue 5 (May 2019) , p. 3027-3032  
8.
8 p, 3.1 MB 2 × 2 charge density wave in single-layer TiTe₂ / Guster, Bogdan (Institut Català de Nanociència i Nanotecnologia) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
A density functional theory study concerning the origin of the recently reported 2 × 2 charge density wave (CDW) instability in single-layer TiTe₂ is reported. It is shown that, whereas calculations employing the semi-local functional PBE favor the undistorted structure, the hybrid functional HSE06 correctly predicts a 2 × 2 distortion. [...]
2019 - 10.1088/2053-1583/aaf20b
2D Materials, Vol. 6, issue 1 (Jan. 2019) , art. 15027  
9.
15 p, 6.3 MB Evidence for the weak coupling scenario of the Peierls transition in the blue bronze / Guster, Bogdan (Institut Català de Nanociència i Nanotecnologia) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Pouget, Jean-Paul (Université Paris-Sud. Laboratoire de Physique des Solides)
On the basis of first-principles DFT calculations the wave-vector and temperature dependencies of the Lindhard response function of the blue bronze K₀. ₃MoO₃ have been calculated. The kFI+kFII interband component of the response, which is responsible for the Peierls instability, has been quantitatively analyzed. [...]
2019 - 10.1103/PhysRevMaterials.3.055001
Physical review materials, Vol. 3, issue 5 (May 2019) , art. 55001  
10.
13 p, 2.2 MB Momentum dependence of spin-orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides / Roldán, Rafael (Instituto de Ciencia de Materiales de Madrid) ; López Sancho, M. Pilar (Instituto de Ciencia de Materiales de Madrid) ; Guinea, Francisco (Instituto de Ciencia de Materiales de Madrid) ; Cappelluti, Emmanuele (Istituto de Sistemi Complessi) ; Silva Guillén, José Ángel (Institut Català de Nanociència i Nanotecnologia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
One of the main characteristics of the new family of two-dimensional crystals of semiconducting transition metal dichalcogenides (TMDs) is the strong spin-orbit interaction, which makes them very promising for future applications in spintronics and valleytronics devices. [...]
2014 - 10.1088/2053-1583/1/3/034003
2D Materials, Vol. 1, Núm. 3 (December 2014) , art. 34003  

Artículos : Encontrados 26 registros   1 - 10siguientefinal  ir al registro:
Documentos de investigación Encontrados 5 registros  
1.
A bird's-eye view of charge and spin density waves from first principles calculations. / Guster, Ionel Bogdan, autor. ; Alonso Pruneda, J. Miguel (José Miguel) supervisor acadèmic. ; Ordejón Rontome, Pablo, supervisor acadèmic. ; Canadell, Enric, 1950- supervisor acadèmic. ; Universitat Autònoma de Barcelona. Institut Català de Nanociència i Nanotecnologia (ICN2)
Aquesta tesi te com a objecte l'estudi de l'estructura electrònica de metalls de baixa dimensionalitat tant en la forma de monocapes com en el bulk. Aquest tipus de metalls sovint presenten inestabilitats electròniques del tipus ona de densitat de càrrega (CDW) o de espí (SDW). [...]
This thesis deals with the electronic structure of low dimensional metals in the form of either single layers or bulk. Low dimensional metals often exhibit electronic instabilities like charge or spin density waves. [...]

[Barcelona] : Universitat Autònoma de Barcelona, 2019.  
2.
143 p, 3.5 MB Electronic properties of organic semiconductors and low-dimensional materials / Boskovic, Desanka, autor. ; Ordejón Rontomé, Pablo, supervisor acadèmic. ; Sodupe Roure, Mariona, supervisor acadèmic. ; Universitat Autònoma de Barcelona. Departament de Química.
Los semiconductores orgánicos se han convertido en un grupo muy interesante de materiales por sus buenas propiedades de transporte de carga y aplicaciones tecnológicas masivas. Entre todos ellos, el rubreno ganó gran interés porque es un semiconductor orgánico con la movilidad más alta del portador, que puede alcanzar 40cm2=V s para los agujeros. [...]
Organic semiconductors became very interesting group of materials because of their good charge-transport properties and massive technological applications. Among all of them, rubrene gained grate interest because it is an organic semiconductor with the highest carrier mobility, which can reach 40cm2=V s for holes. [...]

[Barcelona] : Universitat Autònoma de Barcelona, 2017.  
3.
133 p, 4.0 MB Theoretical study of the electronic properties of 2D materials / Silva Guillén, Jose Angel ; Ordejón Rontomé, Pablo, dir. ; Canadell Casanovas, Enric, dir. ; Alonso Pruneda, J. Miguel (José Miguel) ; Universitat Autònoma de Barcelona. Departament de Física
Los materiales 2D han sido estudiados desde hace mucho tiempo. Recientemente, desde el descubrimiento del grafeno en 2004 por los premios Nobel A. Geim y K. Novoselov, este tipo de materiales recibió atención de nuevo por parte de la comunidad científica. [...]
Two-dimensional materials have been studied since long time ago. Recently, after the dis- covery of graphene in 2004 by Nobel prizes A. Geim and K. Novoselov, a renewed interest in this kind of materials arose in the scienti c community. [...]

[Barcelona] : Universitat Autònoma de Barcelona, 2015  
4.
169 p, 1.3 MB Development and application of ab initio methods for the study of electronic excitations in molecules and extended solids : GW approximation and constrained DFT / Pérez Osorio, Miguel Angel ; Pruneda, José Miguel Alonso, dir. ; Ordejón Rontomé, Pablo, dir. ; Universitat Autònoma de Barcelona. Departament de Química
El objetivo principal de esta tesis fue la implementación dentro del código SIESTA de dos métodos de primeros principios para el estudio de excitaciones electrónicas en moléculas y sólidos extendidos. [...]
The main aim of this thesis is the implementation in the SIESTA code (a widely used academic computational program based on the density functional theory DFT for the simulation of materials) [1, 2] of two powerful methods for the study of electronic excitations in molecules and extended solids. [...]

[Barcelona] : Universitat Autònoma de Barcelona, 2013  
5.
171 p, 4.3 MB First principles calculations of surfaces and layered materials / Machado Charry, Fabio Eduardo ; Ordejón Rontomé, Pablo, dir. (Institut de Ciència de Materials de Barcelona) ; Canadell Casanova, Enric, dir. (Institut de Ciència de Materials de Barcelona)
En este trabajo se han realizado cálculos de primeros principios para estudiar las propiedades físicas de superficies y materiales laminares. Los cálculos se basan en la obtención de las propiedades electrónicas por medio de la Teoría del Funcional de la Densidad, con la que se obtienen la energía y fuerzas atómicas para cada sistema estudiado. [...]
In this work we have made first-principles calculations to study the physical properties of surfaces and layered materials. The calculations are based on obtaining the electronic properties through the Density Functional Theory, with which the energy and atomic forces for each system studied are derived. [...]

Bellaterra : Universitat Autònoma de Barcelona, 2008  

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