Now showing items 1-18 of 18

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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 

      Vergniory, Maia G.; 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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      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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      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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      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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      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 ...
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      Studying the influence of substitutional elements on mechanical behavior of Alloy 718 

      Max, Bertrand; San Juan Núñez, José María; Nó Sánchez, María Luisa; Cloué, Jean-Marc; Viguier, Bernard; Andrieu, Eric (EDP Sciences, 2014)
      In nickel-based superalloys, substitutional solute species have a strong impact on in service mechanical properties as well as on oxidation and corrosion resistances. In alloy 718, recent studies carried out by tensile ...
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      The Influence of Thermal History on the Multistage Transformation of NiTi Shape-Memory Alloys 

      Ruiz Larrea, María Isabel; López Echarri, Ángel María; Breczewski Filberek, Tomasz; López, Gabriel Alejandro; López Ferreño, Iñaki; Nó Sánchez, María Luisa; San Juan Núñez, José María (MDPI, 2018-04)
      The multistage martensitic phase transformation of a polycrystalline NiTi shape-memory alloy (50.3 at. %Ni-49.7 at. % Ti) has been studied by means of calorimetric measurements. After a conventional thermal treatment ...
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      Ultrahigh Superelastic Damping at the Nano-Scale: a Robust Phenomenon to Improve Smart MEMS Devices 

      Gómez Cortés, José Fernando; Nó Sánchez, María Luisa; Ruiz Larrea, María Isabel; Breczewski Filberek, Tomasz; López Echarri, Ángel María; Schuh, Christopher A.; San Juan Núñez, José María (Elsevier, 2019-03)
      Micro and nano pillars of Copper-based shape memory alloys (SMAs) with feature sizes between about 2 mu m and 250 nm are known to exhibit ultra-high mechanical damping due to the nucleation and motion of stress-induced ...
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      Unconventional spin texture of a topologically nontrivial semimetal Sb(110) 

      Stróżecka, A.; Eiguren Goyenechea, Asier; Bianchi, M.; Guan, D.; Voetmann, C. H.; Bao, S.; Hofmann, Ph.; Pascual Chico, José Ignacio (IOP Publishing LTD, 2012-10-17)
      The surfaces of antimony are characterized by the presence of spin-split states within the projected bulk band gap and the Fermi contour is thus expected to exhibit a spin texture. Using spin-resolved density functional ...
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      Upgrading the Performance of Cholesteric Liquid Crystal Lasers: Improvement Margins and Limitations 

      Ortega Aperribay, Josu; Folcia Basa, César Luis; Echevarría Ecenarro, Jesús (MDPI, 2017)
      The topic of cholesteric-liquid-crystal lasers is a rapidly expanding research area in the field of soft-matter photonics. The increasing interest in this field is due to the high versatility that these lasers may possibly ...
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      Water Adsorption on the β-Dicalcium Silicate Surface from DFT Simulations 

      Wang, Qianqian; Manzano Moro, Hegoi; López Arbeloa, Iñigo María; Shen, Xiaodong (MDPI, 2018-09-04)
      beta-dicalcium silicate (beta-Ca2SiO4 or beta-C2S in cement chemistry notation) is one of the most important minerals in cement. An improvement of its hydration rate would be the key point for developing environmentally-friendly ...