Oxygen doping and polaron magnetic coupling in Alq3_3 films

The understanding of the Physics underlying the performances of organic spin-valve devices is still incomplete. According to some recent models, spin transport takes place in an impurity band inside the fundamental gap of organic semiconductors. This seems to be confirmed by recent experiments performed with La$_{0.7}$Sr$_{0.3}$MnO$_3$/Alq$_3$/AlO$_x$/Co devices. The reported results suggest a possible correlation between the magnetoresistance and the variable oxygen doping in the Alq$_3$ spacer. In this paper we investigate by means of first-principles calculations the electronic and magnetic properties of O$_2$ molecules and ions in Alq$_3$ films to establish whether oxygen plays any important role for spin transport in La$_{0.7}$Sr$_{0.3}$MnO$_3$/Alq$_3$/AlO$_x$/Co devices. The conclusion is that it does not. In fact, we show that O$_2$ molecules do not form an impurity band and there is no magnetic interaction between them. In contrast, we suggest that spin-transport may be enabled by the direct exchange coupling between Alq$_3^-$ ions.Comment: 6 pages, 2 figure

Electron doping and magnetic moment formation in N- and C-doped MgO

The formation of the magnetic moment in C- and N-doped MgO is the result of a delicate interplay between Hund's coupling, hybridization and Jahn-Teller distortion. The balance depends on a number of environmental variables including electron doping. We investigate such a dependence by self-interaction corrected density functional theory and we find that the moment formation is robust with respect to electron doping. In contrast, the local symmetry around the dopant is more fragile and two different geometries can be stabilized. Crucially the magnetic moment is always extremely localized, making any carrier mediated picture of magnetism in d^0 magnets unlikely

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Current-induced spin polarization at metallic surfaces from first-principles

We present the results of first-principles calculations based on density functional theory estimating the magnitude of the current-induced spin polarization (CISP) at the surfaces of the $5d$ transition metals with fcc and bcc crystal structures. We predict that the largest surface CISP occurs for W and Ta, whereas CISP is considerably weaker for Pt and Au surfaces. We then discuss how CISP emerges over a length scale equal to few atomic layers as opposed to the spin accumulation characteristic of the SHE, which is related to the materials' spin diffusion length. Finally, using our estimates for the CISP magnitude, we suggest that the spin density appearing near W surfaces in experiments is mostly due to CISP, whereas that at Pt surfaces stems from the Hall effect

Transmission through correlated CunCoCun heterostructures

Under the terms of the Creative Commons Attribution License 3.0 (CC-BY).-- et al.We propose a method to compute the transmission through correlated heterostructures by combining density functional and many-body dynamical mean field theories. The heart of this combination consists in porting the many-body self-energy from an all electron basis into a pseudopotential localized atomic basis set. Using this combination we study the effects of local electronic interactions and finite temperatures on the transmission across the Cu4CoCu4 metallic heterostructure. It is shown that as the electronic correlations are taken into account via a local but dynamic self-energy, the total transmission at the Fermi level gets reduced (predominantly in the minority-spin channel), whereby the spin polarization of the transmission increases. The latter is due to a more significant d-electron contribution, as compared to the noncorrelated case in which the transport is dominated by s and p electrons.Financial support offered by the Augsburg Center for Innovative Technologies and by the Deutsche Forschungsgemeinschaft (through TRR 80) is gratefully acknowledged. A.D. and I.R. acknowledge financial support from the European Union through the EU FP7 program through project 618082 ACMOL. M.R. also acknowledges support by the Ministry of Education, Science, and Technological Development of the Republic of Serbia under Projects No. ON171017 and No. III45018. A.O. would like to acknowledge financial support from the Axel Hultgren foundation and the Swedish steel producer’s association (Jernkontoret). L.V. acknowledges support from the Swedish Research Council.Peer Reviewe

ERAS in General Thoracic Surgery

Enhanced recovery after surgery (ERAS®) is a strategy that seeks to reduce patients’ perioperative stress response, thereby reducing potential complications, decreasing hospital length of stay and enabling patients to return more quickly to their baseline functional status. This programme results from the union of several perioperative clinical elements that have individually proved to be beneficial to the patient and have showed, when used together, a synergy that results in a significant outcome improvement. The term was coined at the end of the 1990s and originally used to refer to a complex fast-track programme in open colorectal surgery. Subsequently, the practice has spread to other surgical specialties centralising the interest of clinicians and researchers. The objective of this chapter is to analyse the key elements of an ERAS protocol applicable to minimally invasive thoracic surgery

A theoretical perspective on the modification of the magnetocrystalline anisotropy at molecule-cobalt interfaces

We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, naphthalene, pyrene and coronene. We perform first-principles calculations based on Density Functional Theory and the magnetic force theorem. Our results indicate that molecular adsorption tends to favour a perpendicular MCA at surfaces. A detailed analysis of various atom-resolved quantities, accompanied by an elementary model, demonstrates that the underlying physical mechanism is related to the metal-molecule interfacial hybridization and, in particular, to the chemical bonding between the molecular C $p_z$ and the out-of-plane Co $d_{z^2}$ orbitals. This effect can be estimated from the orbital magnetic moment of the surface Co atoms, a microscopic observable accessible to both theory and experiments. As such, we suggest a way to directly assess the MCA modifications at molecule-decorated surfaces, overcoming the limitations of experimental studies that rely on fits of magnetization hysteresis loops. Finally, we also study the interface between Co and both C$_{60}$ and Alq$_3$, two molecules that find widespread use in organic spintronics. We show that the modification of the surface Co MCA is similar upon adsorption of these two molecules, thereby confirming the results of recent experiments.Comment: 10 figures in main text and 3 in the SM, 20 page

Non-locally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

The ability to sense the magnetic state of individual magnetic nano-objects is a key capability for powerful applications ranging from readout of ultra-dense magnetic memory to the measurement of spins in complex structures with nanometer precision. Magnetic nano-objects require extremely sensitive sensors and detection methods. Here we create an atomic spin sensor consisting of three Fe atoms and show that it can detect nanoscale antiferromagnets through minute surface-mediated magnetic interaction. Coupling, even to an object with no net spin and having vanishing dipolar stray field, modifies the transition matrix element between two spin states of the Fe-atom-based spin sensor that changes the sensor's spin relaxation time. The sensor can detect nanoscale antiferromagnets at up to three nanometers distance and achieves an energy resolution of 10 micro-electronvolts surpassing the thermal limit of conventional scanning probe spectroscopy. This scheme permits simultaneous sensing of multiple antiferromagnets with a single spin sensor integrated onto the surface.Comment: 30 pages main text, 6 figures, Supplementary materials not inculde

First Italian Consensus Conference on VATS Lobectomy for NSCLC

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