Publications of Ivo Souza

  1. Orientation Dependence of the Intrinsic Anomalous Hall Effect in hcp Cobalt.
    Eric Roman, Yuriy Mokrousov, and Ivo Souza
    Phys. Rev. Lett. 103, 097203 (2009) [journal copy, local copysupplementary material]


  2. Nonadiabatic wavepacket dynamics: k-space formulation.
    J. M. Pruneda and Ivo Souza
    Phys. Rev. B 79, 045127 (2009) [journal copy, local copy]
  3. Dichroic f-sum rule and the orbital magnetization of crystals.
    Ivo Souza and David Vanderbilt
    Phys. Rev. B 77, 054438 (2008) [journal copy, local copy]

  4. Fermi-surface calculation of the anomalous Hall conductivity.
    Xinjie Wang, David Vanderbilt, Jonathan R. Yates, Ivo Souza
    Phys. Rev. B 76, 195109 (2007) [journal copy, local copy]

  5. Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions.
    Arash A. Mostofi, Jonathan R. Yates, Y.-S. Lee, Ivo Souza, David Vanderbilt, and Nicola Marzari
    Comput. Phys. Commun.
    178, 685 (2008) [journal copy, cond-mat]

  6. Spectral and Fermi surface properties from Wannier interpolation.
    Jonathan R. Yates, Xinjie Wang, David Vanderbilt, and Ivo Souza
    Phys. Rev. B
    75, 195121 (2007) [journal copy, local copy]

  7. Ab initio study of the nonlinear optics of III-V semiconductors in the terahertz regime.
    Eric Roman, Jonathan R. Yates, Marek Veithen, David Vanderbilt, and Ivo Souza
    Phys. Rev. B
    74, 245204 (2006) [journal copy, local copy]

  8. Electron-Phonon Interaction via Electronic and Lattice Wannier functions: Superconductivity in Boron-Doped Diamond Reexamined.
    Feliciano Giustino, Jonathan R. Yates, Ivo Souza, Marvin L. Cohen, and Steven G. Louie
    Phys. Rev. Lett. 98, 047005 (2007)
    [journal copy, local copy]

  9. Ab-initio calculation of the anomalous Hall conductivity by Wannier interpolation.
    Xinjie Wang, Jonathan R. Yates, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 74, 195118 (2006)
    [journal copy, local copy]
    Erratum: Phys. Rev. B
    76, 169902(E) (2007) [journal copy, local copy]

  10. Dynamics of Berry-phase polarization in time-dependent electric fields.
    Ivo Souza, Jorge Íñiguez, and David Vanderbilt
    Phys. Rev. B 69, 085106 (2004)
    [journal copy, local copy]

  11. Ab initio transport properties of nanostructures from maximally localized Wannier functions.
    Arrigo Calzolari, Nicola Marzari, Ivo Souza, and Marco Buongiorno Nardelli
    Phys. Rev. B 69, 035108 (2004)
    [journal copy, local copy]

  12. An introduction to maximally-localized Wannier functions.
    Nicola Marzari, Ivo Souza, and David Vanderbilt
    “Highlight of the Month,” Psi-K Newsletter 57, 129 (2003)

  13. Current-density functional theory of the response of solids.
    Neepa T. Maitra, Ivo Souza, and Kieron Burke
    Phys. Rev. B 68, 045109 (2003)
    [journal copy, local copy]

  14. First-Principles Approach to Insulators in Finite Electric Fields.
    Ivo Souza, Jorge Íñiguez, and David Vanderbilt
    Phys. Rev. Lett. 89, 117602 (2002)
    [journal copy, local copy]

  15. Maximally localized Wannier functions for entangled energy bands.
    Ivo Souza, Nicola Marzari, and David Vanderbilt
    Phys. Rev. B 65, 035109 (2001)
    [journal copy, local copy]

  16. Wannier-function description of the electronic polarization and infrared absorption of high-pressure hydrogen.
    Ivo Souza, Richard M. Martin, Nicola Marzari,  Xinyuan Zhao, and David Vanderbilt
    Phys. Rev. B 62, 15505 (2000)
    [journal copy, local copy]

  17. LCAO calculation of dynamical charges and ferroelectricity.
    Daniel Sánchez-Portal, Ivo Souza,  and Richard M. Martin
    Fundamental Physics of Ferroelectrics 2000 (Ronald E. Cohen, editor), pp. 111 - 120, AIP conference proceedings, volume 535

  18. Polarization and localization in insulators: Generating function approach.
    Ivo Souza, Tim Wilkens, and Richard M. Martin
    Phys. Rev. B 62, 1666 (2000)
    [journal copy, local copy]

  19. Polarization and Strong Infrared Activity in Compressed Solid Hydrogen.
    Ivo Souza and Richard M. Martin
    Phys. Rev. Lett. 81, 4452 (1998)
    [journal copy, local copy]

  20. Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics.
    Gerardo Ortiz, Ivo Souza, and Richard M. Martin
    Phys. Rev. Lett. 80, 353 (1998)
    [journal copy, local copy]

  21. Metric tensor as the dynamical variable for variable-cell-shape molecular dynamics.
    Ivo Souza and José Luís Martins
    Phys. Rev. B 55, 8733 (1997)
    [journal copy, local copy]

  22. Testing a simple criterion for the critical temperature.
    Ivo Souza, Carlos Lobo, and João Seixas
    Phys. Rev. B 55, 6356 (1997)
    [journal copy, local copy]