Now showing items 1-20 of 27

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      Acoustic plasmons in extrinsic free-standing graphene 

      Pisarra, M.; Sindona, A.; Riccardi, P.; Silkin, Viatcheslav M.; Pitarke de la Torre, José María (IOP Publishing, 2014-08-04)
      An acoustic plasmon is predicted to occur, in addition to the conventional two-dimensional (2D) plasmon, as the collective motion of a system of two types of electronic carriers coexisting in the same 2D band of extrinsic ...
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      Energy loss of charged particles moving parallel to a magnesium surface 

      García Vergniory, Maia; Silkin, Viatcheslav M.; García de Gurtubay Galligo, Idoia; Pitarke de la Torre, José María (American Physical Society, 2008-10)
      We present it ab initio calculations of the electronic energy loss of charged particles moving outside a magnesium surface, from a realistic description of the one-electron band structure and a full treatment of the dynamical ...
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      Exact-exchange Kohn-Sham potential, surface energy, and work function of jellium slabs 

      Horowitz, Claudio M.; Proetto, C. R.; Pitarke de la Torre, José María (American Physical Society, 2008-08)
      Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work function of jellium slabs are reported in the framework of the optimized effective potential (OEP) scheme of density functional ...
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      Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces 

      Constantin, Lucian A.; Perdew, John P.; Pitarke de la Torre, José María (American Physical Society, 2009-02)
      We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the Perdew-Burke-Ernzerhof ...
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      First-principles calculations of hot-electron lifetimes in metals 

      Campillo Santos, Igor; Silkin, Viatcheslav M.; Pitarke de la Torre, José María; Tchoulkov Savkin, Evgueni Vladimirovich; Rubio Secades, Angel; Echenique Landiribar, Pedro Miguel (American Physical Society, 2000)
      First-principles calculations' of the inelastic lifetime of low-energy electrons in Al, Mg, Be, and Cu are reported. Quasiparticle damping rates are evaluated from the: knowledge of the electron self-energy, which we compute ...
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      Fragile Phases as Affine Monoids: Classification and Material Examples 

      Song, Zhi-Da; Elcoro Cengotitabengoa, Luis Angel; Xu, Yuan-Feng; Regnault, Nicolas; Bernevig, B. Andrei (American Physical Society, 2020-07-01)
      Topological phases in electronic structures contain a new type of topology, called fragile, which can arise, for example, when an elementary band representation (atomic limit band) splits into a particular set of bands. ...
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      Helmholtz Fermi surface harmonics: an efficient approach for treating anisotropic problems involving Fermi surface integrals 

      Eiguren Goyenechea, Asier; García de Gurtubay Galligo, Idoia (IOP Publishing, 2014-06-09)
      We present a new efficient numerical approach for representing anisotropic physical quantities and/or matrix elements defined on the Fermi surface (FS) of metallic materials. The method introduces a set of numerically ...
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      High temperature internal friction in a Ti–46Al–1Mo–0.2Si intermetallic, comparison with creep behaviour 

      Castillo Rodríguez, Miguel; Nó Sánchez, María Luisa; Jiménez, J. A.; Ruano, O. A.; San Juan Núñez, José María (Elsevier, 2016-01-15)
      Advanced gamma-TiAl based intermetallics Mo-bearing have been developed to obtain the fine-grained microstructure required for superplastic deformation to be used during further processing. In the present work we have ...
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      Influence of Nb on Ti Diffusion in Gamma-TiAl Intermetallics Studied by Mechanical Spectroscopy 

      Ibáñez Pérez, Josu; Nó Sánchez, María Luisa; Oehring, M.; Clemens, H.; San Juan Núñez, José María (Elsevier, 2021-01-25)
      The development of intermetallic titanium aluminides has been driven by the aeronautic and aerospace industries because of the excellent mechanical properties and low density of gamma-TiAl based alloys. Up to now, several ...
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      KIMERA: A Kinetic Montecarlo Code for Mineral Dissolution 

      Martín, Pablo; Gaitero Redondo, Juan José; Sánchez Dolado, Jorge; Manzano Moro, Hegoi (MDPI, 2020-09-18)
      KIMERA is a scientific tool for the study of mineral dissolution. It implements a reversible Kinetic Monte Carlo (KMC) method to study the time evolution of a dissolving system, obtaining the dissolution rate and information ...
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      Large magnetoelectric coupling in multiferroic oxide heterostructures assembled via epitaxial lift-off 

      Pesquera, D.; Khestanova, E.; Ghidini, M.; Zhang, S.; Rooney, A. P.; Maccherozzi, F.; Riego Saavedra, Patricia; Farokhipoor, S.; Kim, J.; Moya, X.; Vickers, M. E.; Stelmashenko, N. A.; Haigh, S. J.; Dhesi, S. S.; Mathur, N. D. (Nature, 2020-06-24)
      Epitaxial films may be released from growth substrates and transferred to structurally and chemically incompatible substrates, but epitaxial films of transition metal perovskite oxides have not been transferred to electroactive ...
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      Long-living carriers in a strong electron-phonon interacting two-dimensional doped semiconductor 

      García Goincelaya, Peio; Lafuente Bartolome, Jon; García de Gurtubay Galligo, Idoia; Eiguren Goyenechea, Asier (Nature Publishing Group, 2019-07-15)
      Carrier doping by the electric field effect has emerged as an ideal route for monitoring many-body physics in two-dimensional materials where the Fermi level is tuned so that the strength of the interactions can also be ...
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      Ni–Ti-Hf High-Temperature Shape Memory Alloy: Measure of the Clausius-Clapeyron Coefficient Through Mechanical Spectroscopy 

      Pérez Cerrato, Mikel; Maass, B.; Nó Sánchez, María Luisa; San Juan Núñez, José María (Elsevier, 2021-03-05)
      The martensitic transformation of Ni49.5Ti35.5Hf15 high temperature shape memory alloy is characterized by internal friction measurements. The temperatures for the reversible B2 <-> B19' transformation appear in the range ...
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      Position-dependent exact-exchange energy for slabs and semi-infinite jellium 

      Horowitz, Claudio M.; Constantin, Lucian A.; Proetto, C. R.; Pitarke de la Torre, José María (American Physical Society, 2009-12)
      The position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as the interaction between a given electron at z and its exact-exchange hole) at metal surfaces is investigated, by using either jellium slabs ...
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      Reversible and Non-Reversible Transformation of Magnetic Structure in Amorphous Microwires 

      Chizhik, Alexander; González Estévez, Julián María; Zhukov Egorova, Arkady Pavlovich; Gawronski, Przemyslaw; Ipatov, Mihail; Corte León, Paula; Blanco Aranguren, Juan María; Zhukova Zhukova, Valentina (MDPI, 2020-07-24)
      We provide an overview of the tools directed to reversible and irreversible transformations of the magnetic structure of glass-covered microwires. The irreversible tools are the selection of the chemical composition, ...
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      Role of occupied d bands in the dynamics of excited electrons and holes in Ag 

      García Lekue, A.; Pitarke de la Torre, José María; Tchoulkov Savkin, Evgueni Vladimirovich; Liebsch, A.; Echenique Landiribar, Pedro Miguel (American Physical Society, 2003)
      The role that occupied d bands play in the inelastic lifetime of bulk and surface states in Ag is investigated from the knowledge of the quasiparticle self-energy. In the case of bulk electrons, sp bands are taken to be ...
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      Role of occupied d states in the relaxation of hot electrons in Au 

      Campillo Santos, Igor; Pitarke de la Torre, José María; Rubio, A.; Echenique Landiribar, Pedro Miguel (American Physical Society, 2000-07-15)
      We present first-principles calculations of electron-electron scattering rates of low-energy electrons in Au. Our full band-structure calculations indicate that a major contribution from occupied d states participating in ...
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      Spectral and optical properties of Ag3Au(Se2,Te2) and dark matterdetection 

      Sánchez Martínez, M. Á.; Robredo Magro, Iñigo; Bidaurrazaga Barrueta, Arkaitz; Bergara Jauregui, Aitor; De Juan Sanz, Fernando.; Grushin, A G; García Vergniory, Maia (IOP, 2020-01-01)
      Paper • The following article is Open access Spectral and optical properties of Ag3Au(Se2,Te2) and dark matter detection M-Á Sánchez-Martínez6,1 , I Robredo6,2,3, A Bidaurrazaga3, A Bergara2,3,4, F de Juan2,5, A G ...
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      Strain Relaxation in Cu-Al-Ni Shape Memory Alloys Studied by in Situ Neutron Diffraction Experiments 

      Ruiz Larrea, María Isabel; López Echarri, Ángel María; Gómez Cortés, José Fernando; Nó Sánchez, María Luisa; Brown, Donald W.; Balogh, Levente; Breczewski Filberek, Tomasz; San Juan Núñez, José María (American Institute of Physics, 2019-02-28)
      In situ neutron diffraction is used to study the strain relaxation on a single crystal and other powdered Cu-Al-Ni shape memory alloys (SMAs) around martensitic transformation temperatures. This work is focused on the ...
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      Stress-assisted atomic diffusion in metastable austenite D03 phase of Cu-Al-Be shape memory alloys 

      López Ferreño, Iñaki; Breczewski Filberek, Tomasz; López, Gabriel Alejandro; Nó Sánchez, María Luisa; San Juan Núñez, José María (Pergamon-Elsevier, 2016-11)
      Cu-Al-based shape memory alloys are firm candidates to be used up to 473 K. The main limiting aspect is the activation of diffusion processes in the metastable austenite phase, which drive the alloy decomposition. In the ...