Results overview: Found 13 records in 0.02 seconds.
Articles, 11 records found
Research literature, 2 records found
Articles 11 records found  1 - 10next  jump to record:
1.
16 p, 13.4 MB Polarization dependence of angle-resolved photoemission with submicron spatial resolution reveals emerging one-dimensionality of electrons in NbSe3 / Valbuena, Miguel Ángel (Institut Català de Nanociència i Nanotecnologia) ; Chudzinski, P. (Institute for Theoretical Physics) ; Pons, S. (École Polytechnique Fédérale de Lausanne) ; Conejeros, S. (Universidad Católica Del Norte. Departamento de Química) ; Alemany, P. (Universitat de Barcelona. Departament de Ciència de Materials i Química Física) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Berger, H. (École Polytechnique Fédérale de Lausanne) ; Frantzeskakis, E. (Synchrotron SOLEIL) ; Avila, J. (Synchrotron SOLEIL) ; Asensio, M.C. (Synchrotron SOLEIL) ; Giamarchi, T. (University of Geneva. Department of Quantum Matter Physics) ; Grioni, M. (École Polytechnique Fédérale de Lausanne)
In materials with nearly commensurate band filling the electron liquid may spontaneously separate into components with distinct properties, yielding complex intra-and interunit cell ordering patterns and a reduced dimensionality. [...]
2019 - 10.1103/PhysRevB.99.075118
Physical review B, Vol. 99, Issue 7 (February 2019) , art. 75118  
2.
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, Vol. 92, Issue 13 (October 2015) , art. 134510  
3.
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, Vol. 92, Issue 6 (August 2015) , art. 64514  
4.
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  
5.
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  
6.
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  
7.
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  
8.
26 p, 1.0 MB Nanotexturing to Enhance Photoluminescent Response of Atomically Thin Indium Selenide with Highly Tunable Band Gap / Brotons Gisbert, Mauro (Universitat de València) ; Andrés Penares, Daniel (Universitat de València) ; Suh, Joonki (University of California. Department of Materials Science and Engineering) ; Hidalgo, Francisco (Institut Català de Nanociència i Nanotecnologia) ; Abargues, Rafael (Intenanomat S. L.) ; Rodríguez Cantó, Pedro J. (Intenanomat S.L.) ; Segura, Alfredo (Universitat de València) ; Cros, Ana (Universitat de València) ; Tobias, Gerard (Institut de Ciencia de Materials de Barcelona) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Wu, Junqiao (University of California. Department of Materials Science and Engineering) ; Martínez Pastor, Juan P. (Universitat de València) ; Sánchez Royo, Juan F. (Universitat de València)
Manipulating properties of matter at the nanoscale is the essence of nanotechnology, which has enabled the realization of quantum dots, nanotubes, metamaterials, and two-dimensional materials with tailored electronic and optical properties. [...]
2016 - 10.1021/acs.nanolett.6b00689
Nano letters, Vol. 16, Issue 5 (April 2016) , p. 3221-3229  
9.
11 p, 3.4 MB Electronic structure of 2H-NbSe₂ single-layers in the CDW state / Silva Guillén, José Ángel (Fundación IMDEA Nanociencia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia) ; Guinea, Francisco (Fundación IMDEA Nanociencia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona)
Adensity functional theory study of NbSe₂"Qsingle-layers in the normal non-modulated and the 3xQ3 CDW states is reported. Weshow that, in the single layer, the CDW barely affects the Fermi surface of the system, thus ruling out a nesting mechanism as the driving force for the modulation. [...]
2016 - 10.1088/2053-1583/3/3/035028
2D Materials, Vol. 3, no. 3 (Sep. 2016) , art. 35028  
10.
13 p, 1.2 MB First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density / Guster, Bogdan (Institut Català de Nanociència i Nanotecnologia) ; Canadell Casanova, Enric (Institut de Ciència de Materials de Barcelona (ICMAB-CSIC)) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
We present a density functional theory study of the electronic structure of single-layer TiSe, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. [...]
2018 - 10.1088/2053-1583/aab568
2D Materials, Vol. 5, Núm. 2 (March 2018) , art. 025024  

Articles : 11 records found   1 - 10next  jump to record:
Research literature 2 records found  
1.
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  
2.
43 p, 2.8 MB Nuevos oxinitruros laminares de niobio y tántalo y sistemas relacionados : síntesis, cristaloquímica y estructura electrónica / Tobías Rossell, Gerard ; Fuertes, Amparo, dir. (Institut de Ciència de Materials de Barcelona) ; Canadell Casanova, Enric, dir. (Institut de Ciència de Materials de Barcelona)
El nitrógeno presenta propiedades electrónicas como polarizabilidad y electronegatividad, así como características cristaloquímicas -radios iónicos, índices de coordinación- muy próximas a las del oxígeno. [...]
Nitrogen presents some properties like polarizability, electronegativity, ionic radii and coordination numbers quite similar to oxygen. This allows that both anions can be exchanged in the same crystallographic position, creating solid disolutions. [...]

Bellaterra : Universitat Autònoma de Barcelona, 2004
12 documents

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