arXiv subjects

Jorge I. Cerda

Publications and source records attributed to Jorge I. Cerda.

4 recordsLinked to original sources

arXiv2022

High power density energy harvesting devices based on the anomalous Nernst effect of Co/Pt magnetic multilayers

The anomalous Nernst effect (ANE) is a thermomagnetic phenomenon with potential applications in thermal energy harvesting. While many recent works studied the approaches to increase the ANE coefficient of materials, relatively little effort was devoted to increasing the power supplied by the effect. Here we demonstrate a nanofabricated device with record power density generated by the ANE. To accomplish this, we fabricate micrometer-sized devices in which the thermal gradient is three orders of magnitude higher than conventional macroscopic devices. In addition, we use Co/Pt multilayers, a system characterized by a high ANE thermopower (~1 microV/K), low electrical resistivity, and perpendicular magnetic anisotropy. These innovations allow us to obtain power densities of around 13 W/cm3. We believe that this design may find uses in harvesting wasted energy in e.g. electronic devices.

cond-mat.mtrl-sci↗

arXiv2018

Complex spin texture of Dirac cones induced via spin-orbit proximity effect in graphene on metals

We use large-scale DFT calculations to investigate with unprecedented detail the so-called spin-orbit (SO) proximity effect in graphene adsorbed on the Pt(111) and Ni(111)/Au semi-infinite surfaces, previously studied via spin and angle resolved photoemission (SP-ARPES) experiments. The key finding is that, due to the hybridization with the metal's bands, the Dirac cones manifest an unexpectedly rich spin texture including out-of-plane and even radial in-plane spin components at (anti)crossings where local gap openings and deviations from linearity take place. Both the continuum character of the metallic bands and the back folding associated to the moiré patterns enhance the spin texture and induce sizable splittings which, nevertheless, only become giant (~100 meV) at anticrossing regions; that is, where electronic transport is suppressed. At the quasilinear regions the splitted bands typically disperse with different broadenings and tend to cross with their magnetization continuously changing in order to match that at the edges of the upper and lower gaps. As a result, both the splittings and spin direction become strongly k dependent. The SO manifests in an analogous way for the spin-polarized G/Au/Ni(111) system, although here the magnetic exchange interactions dominate inducing small splittings (~10 meV) in the $π$ bands while the SO mainly introduces a small Rashba splitting in the Dirac cones as their magnetization acquires a helical component. While revealing such complex spin texture seems challenging from the experimental side, our results provide an important reference for future SP-ARPES measurements of similar graphene based systems extensively investigated for applications in spintronics.

cond-mat.mtrl-sci↗

arXiv2006

Extended Huckel theory for bandstructure, chemistry, and transport. II. Silicon

In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its electronic structure. The EHT-parameters areoptimized to experimental target values of the band dispersion of bulk-silicon. We obtain a very good quantitative match to the bandstructure characteristics such as bandedges and effective masses, which are competitive with the values obtained within an $sp^3 d^5 s^*$ orthogonal-tight binding model for silicon. The transferability of the parameters is investigated applying them to different physical and chemical environments by calculating the bandstructure of two reconstructed surfaces with different orientations: Si(100) (2x1) and Si(111) (2x1). The reproduced $π$- and $π^*$-surface bands agree in part quantitatively with DFT-GW calculations and PES/IPES experiments demonstrating their robustness to environmental changes. We further apply the silicon parameters to describe the 1D band dispersion of a unrelaxed rectangular silicon nanowire (SiNW) and demonstrate the EHT-approach of surface passivation using hydrogen. Our EHT-parameters thus provide a quantitative model of bulk-silicon and silicon-based materials such as contacts and surfaces, which are essential ingredients towards a quantitative quantum transport simulation through silicon-based heterostructures.

cond-mat.mtrl-sci↗

arXiv2006

Extended Huckel theory for bandstructure, chemistry and transport. I. Carbon Nanotubes

We describe a semi-empirical atomic basis Extended Hückel Theoretical (EHT) technique that can be used to calculate bulk bandstructure, surface density of states, electronic transmission and interfacial chemistry of various materials within the same computational platform. We apply this method to study multiple technologically important systems, starting with carbon-nanotubes (CNT) and their interfaces in this paper, and silicon-based heterostructures in our follow-up paper. We find that when it comes to quantum transport through interesting, complex heterostructures, the Huckel bandstructure offers a fair and practical compromise between orthogonal tight-binding theories (OTB) with limited transferability between environments under large distortion, and density functional theories (DFT) that are computationally quite expensive for the same purpose.

cond-mat.mtrl-sci↗