Publicacións (49)

2021

  1. Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

    Journal of Molecular Liquids, Vol. 344

2017

  1. Ab initio study of intrinsic profiles of liquid metals and their reflectivity

    EPJ Web of Conferences

2013

  1. Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study

    Modelling and Simulation in Materials Science and Engineering, Vol. 21, Núm. 7

  2. Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

    Journal of Physics Condensed Matter, Vol. 25, Núm. 8

  3. Doping efficiency in n-type InP nanowires

    Physical Review B - Condensed Matter and Materials Physics, Vol. 88, Núm. 11

2011

  1. Static structure, microscopic dynamics and electronic properties of the liquid Bi-Pb alloy. An ab initio molecular dynamics study

    Journal of Nuclear Materials, Vol. 411, Núm. 1-3, pp. 163-170

  2. Multidimensional nanoscale materials from fused quantum dots

    Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 20

  3. Computational studies of doped nanostructures

    Reports on Progress in Physics, Vol. 74, Núm. 4

2010

  1. N-type doping via avoiding the stabilization of DX centers in InP quantum dots

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 12

  2. Investigation of fivefold symmetry at the liquid Pb/Si(001) interface: An ab initio molecular dynamics study

    Physical Review B - Condensed Matter and Materials Physics, Vol. 82, Núm. 13

  3. Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid Bi near melting using real-space pseudopotentials

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 13

2008

  1. Role of dimensionality and quantum confinement in p -type semiconductor indium phosphide quantum dots

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 23

  2. Possibility of collinear magnetic order in frustrated free-standing Fe2 Cr4 clusters

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 21

  3. Engineering the magnetic structure of Fe clusters by Mn alloying

    Nanotechnology, Vol. 19, Núm. 24

  4. Ab initio calculations for p-type doped bulk indium phosphide

    Solid State Communications, Vol. 146, Núm. 5-6, pp. 245-248

  5. A density-functional study of the possibility of noncollinear magnetism in small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

    Journal of Chemical Physics, Vol. 128, Núm. 11

2007

  1. The role of quantum confinement in p-type doped indium phosphide nanowires

    Nano Letters, Vol. 7, Núm. 7, pp. 1878-1882

  2. Efficient first-principles calculations of the electronic structure of periodic systems

    Computer Physics Communications, Vol. 177, Núm. 4, pp. 339-347

  3. Ab initio molecular dynamics simulations of the static, dynamic, and electronic properties of liquid Pb using real-space pseudopotentials

    Physical Review B - Condensed Matter and Materials Physics, Vol. 76, Núm. 21

2006

  1. Ab initio calculations for the interconversion of optically active defects in amorphous silica

    Physical Review B - Condensed Matter and Materials Physics, Vol. 73, Núm. 23