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9 papers · 2 filters
First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides
Lorenzo Paulatto, Ion Errea, Matteo Calandra +1
The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation the…
Monitoring Galvanic Replacement Through Three-Dimensional Morphological and Chemical Mapping
Bart Goris, Lakshminarayana Polavarapu, Sara Bals +2
Galvanic replacement reactions on metal nanoparticles are often used for the preparation of hollow nanostructures with tunable porosity and chemical composition, leading to tailore…
Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures
Alejandro Pérez Paz, Irina V. Lebedeva, Ilya V. Tokatly +1
One of the most accepted models that describe the anomalous thermal behavior of amorphous materials at temperatures below 1 K relies on the quantum mechanical tunneling of atoms be…
Resistive switching phenomena in TiOx nanoparticle layers for memory applications
Emanuelle Goren, Mariana Ungureanu, Raul Zazpe +5
Electrical characteristics of a Co/TiO_x/Co resistive memory device, fabricated by two different methods are reported. In addition to crystalline TiO_2 layers fabricated via conven…
Electronic stopping power in a narrow band gap semiconductor from first principles
Rafi Ullah, Fabiano Corsetti, Daniel Sánchez-Portal +1
The direction and impact parameter dependence of electronic stopping power, along with its velocity threshold behavior, is investigated in a prototypical small band gap semiconduct…
How disorder affects the Berry-phase anomalous Hall conductivity: the view from k space
Raffaello Bianco, Raffaele Resta, Ivo Souza
The anomalous Hall conductivity of "dirty" ferromagnetic metals is dominated by a Berry-phase contribution which is usually interpreted as an intrinsic property of the Bloch electr…