Search Results - "Llois, A. M"

Role of symmetry mismatch, charge transfer and low dimensionality in the magnetic order of CaMnO3/SrTiO3 ultrathin heterostructures by Barral, M. A., Llois, A. M., Di Napoli, S.

“…By means of ab initio calculations, we study the effect of charge transfer and symmetry mismatch on the magnetic and electronic properties of CaMnO3 ultrathin…”
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Phonon spectrum, mechanical and thermophysical properties of thorium carbide by Pérez Daroca, D., Jaroszewicz, S., Llois, A.M., Mosca, H.O.

“…In this work, we study, by means of density functional perturbation theory and the pseudopotential method, mechanical and thermophysical properties of thorium…”
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Co-doped ceria: tendency towards ferromagnetism driven by oxygen vacancies by Ferrari, V, Llois, A M, Vildosola, V

“…We perform an electronic structure study for cerium oxide homogeneously doped with cobalt impurities, focusing on the role played by oxygen vacancies and…”
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Electronic structure and properties of NbS2 and TiS2 low dimensional structures by Güller, F., Helman, C., Llois, A.M.

“…Transition metal dichalcogenides have a laminar structure, weakly bound through van der Waals interactions. Due to their technological applications in…”
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Out of equilibrium Anderson model: Conductance and Kondo temperature by Tosi, L., Roura-Bas, P., Llois, A.M., Aligia, A.A.

“…We calculate the conductance through a quantum dot weakly coupled to metallic contacts by means of the Keldysh out of equilibrium formalism. We model the…”
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Fe/ZnSe/Fe junctions: Interplay between interface structure and tunneling magnetoresistance by Helman, C., Ferrari, V., Milano, J., Llois, A.M.

“…We investigate the electronic structure of Fe/ZnSe/Fe magnetic tunnel junctions for which interdiffusion and reconstruction at the interfaces are considered…”
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Substrate effects on the magnetic ground state of 3d transition metal chains by Urdaniz, M.C., Barral, M.A., Llois, A.M.

“…We investigate the electronic and magnetic properties of linear chains of 3d atoms, namely Cr and Mn, supported on a monolayer of copper nitride on Cu(1 0 0)…”
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Anderson impurity model: Vertex corrections within the finite U non-crossing approximation by Roura-Bas, P., Vildosola, V., Manuel, L.O., Llois, A.M.

“…We revise the simplest possible approximations to solve numerically the vertex equations for the single impurity Anderson model (SIAM) within the finite U…”
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Tunneling magnetoresistance of Fe/ZnSe (0 0 1) single- and double-barrier junctions as a function of interface structure by Peralta-Ramos, J., Llois, A.M.

“…In this contribution, we calculate the spin-dependent ballistic and coherent transport through epitaxial Fe/ZnSe (0 0 1) simple and double magnetic tunnel…”
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Volume effects on the crystal-field splittings of CeZ (Z=Sb,Te) by Roura-Bas, P., Vildosola, V., Llois, A.M.

“…Among the Cerium compounds, the monochalcogenides CeY (Y=S,Se,Te) as well as the monopnictides CeX (X=P,As,Sb,Bi) show very interesting physical properties. In…”
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Magnetic properties of bimetallic Ni–Pd nanoclusters by Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M.

“…We study the dependence of the magnetic properties of Ni–Pd nanoclusters (Ni cores coated by Pd atoms) on size and relative composition. We consider Ni–Pd…”
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Polarity effects in unsupported polar nanoribbons by Güller, F., Llois, A. M., Goniakowski, J., Noguera, C.

“…We analyze the characteristics of polarity in unsupported nanoribbons with zigzag edges, by a combination of analytic models, semiempirical Hartree-Fock…”
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Tunnel transport through multiple junctions by Peralta-Ramos, J., Llois, A.M.

“…We calculate the conductance through double junctions of the type M(inf.)–Sn–Mm–Sn–M(inf.) and triple junctions of the type M(inf.)–Sn–Mm–Sn–Mm–Sn–M(inf.),…”
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Kondo physics in a Ni impurity embedded in O-doped Au chains by Di Napoli, S., Barral, M. A., Roura-Bas, P., Manuel, L. O., Llois, A. M., Aligia, A. A.

“…By means of ab initio calculations we study the effect of O doping of Au chains containing a nanocontact represented by a Ni atom as a magnetic impurity. In…”
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A first-principles study of He, Xe, Kr and O incorporation in thorium carbide by Pérez Daroca, D., Llois, A.M., Mosca, H.O.

“…Thorium-based materials are currently being investigated in relation with their potential utilization in Generation-IV reactors as nuclear fuels. Understanding…”
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Crystal-field splittings in CeX (X = N, P, As, Sb, Bi) compounds by Roura-Bas, P., Vildosola, V., Llois, A.M.

“…The unusual and interesting physical properties of rare earth intermetallic compounds have their origin in the combination of strongly correlated 4f states and…”
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First-principles study of point defects in thorium carbide by Pérez Daroca, D., Jaroszewicz, S., Llois, A.M., Mosca, H.O.

“…Thorium-based materials are currently being investigated in relation with their potential utilization in Generation-IV reactors as nuclear fuels. One of the…”
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Hybridization functions of intermetallic Ce compounds with group VI elements by Roura-Bas, P., Vildosola, V., Llois, A.M.

“…Among the Cerium compounds, the heavier monochalcogenides CeY ( Y = S ,Se,Te) of cerium provide a class of compounds which together with the heavier…”
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Band contribution to the electronic transport in noncollinear magnetic materials: application to LaMn2Ge2 by DI NAPOLI, S, BIHLMAYER, G, BLÜGEL, S, ALOUANI, M, DREYSSE, H, LLOIS, A. M

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Modeling of oxygen incorporation in Th, ThC, and ThN by density functional theory calculations by Pérez Daroca, D., Llois, A.M., Mosca, H.O.

“…Oxygen incorporation in nuclear fuel materials is an important issue deserving investigation due to its influence on thermophysical and structural properties…”
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