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Publications of Ivo Souza

  1. Electrical magnetochiral anisotropy in trigonal tellurium from first principles
    Xiaoxiong Liu, Ivo Souza, Stepan S. Tsirkin
    Submitted [arXiv preprint]

  2. Optical bounds on many-electron localization
    Ivo Souza, Richard M. Martin, Massimiliano Stengel
    Submitted to SciPost Phys. [arXiv preprint]

  3. Symmetry Origin and Microscopic Mechanism of Electrical Magnetochiral Anisotropy in Tellurium
    Manuel Suárez-Rodríguez, Beatriz Martín-García, Francesco Calavalle, Stepan S. Tsirkin, Ivo Souza, Fernando De Juan, Albert Fert, Marco Gobbi, Luis E. Hueso, Fèlix Casanova
    Submitted  [arXiv preprint]

  4. The Wannier-Functions Software Ecosystem for Materials Simulations
    Antimo Marrazzo, Sophie Beck, Elena R. Margine, Nicola Marzari, Arash A. Mostofi, Junfeng Qiao, Ivo Souza, Stepan S. Tsirkin, Jonathan R. Yates, Giovanni Pizzi
    Rev. Mod. Phys. (in press) [arXiv preprint]

  5. Unveiling Intrinsic Bulk Photovoltaic Effect in Atomically Thin ReS2
    Maria Ramos, Tanweer Ahmed, Bao Q. Tu, Eleni Chatzikyriakou, Lucía Olano-Vegas, Beatriz Martín-García, M. Reyes Calvo, Stepan S. Tsirkin, Ivo Souza, Félix Casanova,
    Fernando de Juan, Marco Gobbi,  Luis E. Hueso
    Nano Lett. 24 14728 (2024)  [journal copy, local copy]

  6. Computing Floquet quasienergies in finite and extended systems: Role of electromagnetic and quantum-geometric gauges
    Álvaro R. Puente-Uriona, Michele Modugno, Ivo Souza, Julen Ibañez-Azpiroz
    Phys. Rev. B 110 125203 (2024) [journal copy, local copy]

  7. Non-Hermitian linear electro-optic effect in three-dimensional materials
    Tiago A. Morgado, Tatiana G. Rappoport, Stepan S. Tsirkin, Sylvain Lannebère, Ivo Souza, and Mário G. Silveirinha
    Phys. Rev. B 109 245126 (2024) [journal copy, local copy]

  8. Odd Nonlinear Conductivity under Spatial Inversion in Chiral Tellurium
    Manuel Suárez-Rodríguez, Beatriz Martín-García, Witold Skowroński, F. Calavalle, Stepan S. Tsirkin, Ivo Souza, Fernando De Juan, Andrey Chuvilin, Albert Fert, Marco Gobbi, Fèlix Casanova, and Luis E. Hueso
    Phys. Rev. Lett. 132 046303 (2024) [journal copy, local copy]

  9. Ab initio study of the nonlinear optical properties and dc photocurrent of the Weyl semimetal TaIrTe4
    Álvaro R. Puente-Uriona, Stepan S. Tsirkin, Ivo Souza, and Julen Ibañez-Azpiroz
    Phys. Rev. B 107 205205 (2023) [journal copy, local copy] Editors' Suggestion

  10. Multipole theory of optical spatial dispersion in crystals
    Óscar Pozo and Ivo Souza
    SciPost Phys. 14 118 (2023) [journal copy]

  11. On the separation of Hall and Ohmic nonlinear responses
    Stepan S. Tsirkin and Ivo Souza
    SciPost Phys. Core 5 039 (2022) [journal copy]

  12. Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties
    Julen Ibañez-Azpiroz, Fernando de Juan, and Ivo Souza
    SciPost Phys. 12 070 (2022) [journal copy]

  13. Mirror Chern numbers in the hybrid Wannier representation
    Tomáš Rauch, Thomas Olsen, David Vanderbilt, and Ivo Souza
    Phys. Rev. B     103 195103 (2021) [journal copy, local copy]

  14. Quadrupole moments, edge polarizations, and corner charges in the Wannier representation
    Shang Ren, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 103 035147 (2021) [journal copy, local copy]

  15. Gapless hinge states from adiabatic pumping of axion coupling
    Thomas Olsen, Tomáš Rauch, David Vanderbilt, and Ivo Souza
    Phys. Rev. B     102 035166 (2020) [journal copy, local copy]     Editors' Suggestion

  16. Axion coupling in the hybrid Wannier representation
    Nicodemos Varnava, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 101 155130 (2020) [journal copy, local copy]

  17. Wannier90 as a community code: new features and applications
    Giovanni Pizzi, Valerio Vitale, Ryotaro Arita, Stefan Blugel, Frank Freimuth, Guillaume Geranton, Marco Gibertini, Dominik Gresch, Charles Johnson, Takashi Koretsune, Julen Ibanez-Azpiroz, Hyungjun Lee, Jae-Mo Lihm, Daniel Marchand, Antimo Marrazzo, Yuriy Mokrousov, Jamal I. Mustafa, Yoshiro Nohara, Yusuke Nomura, Lorenzo Paulatto, Samuel Ponce, Thomas Ponweiser, Junfeng Qiao, Florian Thole, Stepan S. Tsirkin, Malgorzata Wierzbowska, Nicola Marzari, David Vanderbilt, Ivo Souza, Arash A. Mostofi, and Jonathan R. Yates
    J. Phys.: Condens. Matter 32 165902 (2020) [journal copy, local copy]

  18. Directional shift current in mirror-symmetric BC2N
    Julen Ibañez-Azpiroz, Ivo Souza, and Fernando de Juan
    Phys. Rev. Research 2 013263 (2020) [journal copy, local copy]

  19. Computation of intrinsic spin Hall conductivities from first principles using maximally localized Wannier functions
    Ji Hoon Ryoo, Cheol-Hwan Park, and Ivo Souza
    Phys. Rev. B 99 235113 (2019) [journal copy, local copy]

  20. Geometric and nongeometric contributions to the surface anomalous Hall conductivity
    Tomáš Rauch, Thomas Olsen, David Vanderbilt, and Ivo Souza
    Phys. Rev. B 98 115108 (2018) [journal copy, local copy]     Editors' Suggestion

  21. Ab initio calculation of the shift photocurrent by Wannier interpolation
    Julen Ibañez-Azpiroz, Stepan S. Tsirkin, and Ivo Souza
    Phys. Rev. B 97 245143 (2018) [journal copy, local copy]

  22. Gyrotropic effects in trigonal tellurium studied from first principles
    Stepan S. Tsirkin, Pablo Aguado Puente, and Ivo Souza
    Phys. Rev. B 97, 035158 (2018) [journal copy, local copy]

  23. Composite Weyl nodes stabilized by screw symmetry with and without time-reversal invariance
    Stepan S. Tsirkin, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 96 045102 (2017) [journal copy, local copy] Editors' Suggestion

  24. Surface theorem for the Chern-Simons axion coupling
    Thomas Olsen, Maryam Taherinejad, David Vanderbilt, and Ivo Souza
    Phys. Rev. B 95 075137 (2017) [journal copy, local copy]

  25. Metal-insulator transition in disordered systems from the one-body density matrix
    Thomas Olsen, Raffaele Resta, and Ivo Souza
    Phys. Rev. B 95 045109 (2017) [journal copy, local copy]

  26. Gyrotropic magnetic effect and the magnetic moment on the Fermi surface
    Shudan Zhong, Joel E. Moore, and Ivo Souza
    Phys. Rev. Lett. 116 077201 (2016) [journal copy, local copy, local copy of supplemental material]

  27. Valley Hall effect in disordered monolayer MoS2 from first principles
    Thomas Olsen and Ivo Souza
    Phys. Rev. B 92 125146 (2015) [journal copy, local copy]

  28. Chiral degeneracies and Fermi-surface Chern numbers in bcc Fe
    Daniel Gosálbez-Martínez, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 92 085138 (2015) [journal copy, local copy, local copy of supplemental material] Editors' Suggestion

  29. An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
    Arash Mostofi, Jonathan R. Yates, Giovanni Pizzi, Young-Su Lee, Ivo Souza, David Vanderbilt, and Nicola Marzari
    Comput. Phys. Commun. 185 2309 (2014) [journal copy, local copy]

  30. How disorder affects the Berry-phase anomalous Hall conductivity: A reciprocal-space analysis
    Raffaello Bianco, Raffaele Resta, and Ivo Souza
    Phys. Rev. B 90 125153 (2014) [journal copy, local copy]

  31. Comment on "Weyl fermions and the anomalous Hall effect in metallic ferromagnets"
    David Vanderbilt, Ivo Souza, and F.D.M. Haldane
    Phys. Rev. B 89, 117101 (2014) [journal copy, local copy]

  32. Natural optical activity and its control by electric field in electrotoroidic systems
    Sergey Prosandeev, Andrei Malashevich, Zhigang Gui, Lydie Louis, Raymond Walter,
    Ivo Souza, and Laurent Bellaiche
    Phys. Rev. B 87, 195111 (2013) [journal copy, local copy]

  33. Anisotropy of spin relaxation and transverse transport in metals
    Yuriy Mokrousov, Hongbin Zhang, Frank Freimuth, Bernd Zimmermann, Nguyen H. Long,
    Jurgen Weischenberg, Ivo Souza, Phivos Mavropoulos, and Stefan Blugel
    J. Phys.: Condens. Matter 25, 163201 (2013) [journal copy, local copy]. Also published  as a Psi-k Highlight

  34. Full magnetoelectric  response of Cr2O3 from first principles
    Andrei Malashevich, Sinisa Coh, Ivo Souza, and David Vanderbilt
    Phys. Rev. B 86, 094430 (2012) [journal copy, local copy]  Editors' Suggestion

  35. Maximally localized Wannier functions: Theory and applications
    Nicola Marzari, Arash A. Mostofi, Jonathan Yates, Ivo Souza, and David Vanderbilt
    Rev. Mod. Phys. 84, 1419 (2012) [journal copy, local copy]

  36. Wannier-based calculation of the orbital magnetization in crystals
    M. G. Lopez, David Vanderbilt, T. Thonhauser, and Ivo Souza
    Phys. Rev. B 85, 014435 (2012) [journal copy, local copy]

  37. Orbital magnetoelectric coupling at finite electric field
    Andrei Malashevich, David Vanderbilt, and Ivo Souza
    Phys. Rev. B 83, 092407 (2011) [journal copy, local copy]

  38. Chern-Simons orbital magnetoelectric coupling in generic insulators
    Sinisa Coh, David Vanderbilt, Andrei Malashevich, and Ivo Souza
    Phys. Rev. B     83, 085108 (2011) [journal copy, local copy]

  39. Role of spin-flip transitions in the anomalous Hall effect of FePt alloy
    Hongbin Zhang, Frank Freimuth, Stefan Blugel, Yuriy Mokrousov, and Ivo Souza
    Phys. Rev. Lett. 106, 117202 (2011) [journal copy, local copy]

  40. Band theory of spatial dispersion in magnetoelectrics
    Andrei Malashevich and Ivo Souza
    Phys. Rev. B 82, 245118 (2010) [journal copy, local copy] Editors' Suggestion

  41. Theory of orbital magnetoelectric response
    Andrei Malashevich, Ivo Souza, Sinisa Coh, and David Vanderbilt
    New Journal of Physics 12, 053032 (2010) [journal copy, local copy]

  42. Spin-orbit strength driven crossover between intrinsic and extrinsic mechanisms
    of the anomalous Hall effect in epitaxial L1    0 FePd and FePt
    K. M. Seemann, Y. Mokrousov, A. Aziz, J. Miguel, F. Kronast, W. Kuch, M. G. Blamir,
    A.t. Hindmarch, B. J. Hickey, I. Souza, and C. H. Marrows
    Phys. Rev. Lett. 104, 076402 (2010) [journal copy, local copy]

  43. 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 copy,  supplementary material]

  44. Nonadiabatic wavepacket dynamics: k-space formulation
    J. M. Pruneda and Ivo Souza
    Phys. Rev. B 79, 045127 (2009) [journal copy, local copy]

  45. 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]

  46. 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]

  47. 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, local copy]

  48. 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]

  49. 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]

  50. 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]

  51. 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]

  52. 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]

  53. 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]

  54. An introduction to maximally-localized Wannier functions
    Nicola Marzari, Ivo Souza, and David Vanderbilt
    Highlight of the Month, Psi-K Newsletter     57, 129 (2003) [journal copy, local copy]

  55. 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]

  56. 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]

  57. 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]

  58. 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]

  59. 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     [journal copy, local copy]

  60. 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]

  61. 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]

  62. 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]

  63. 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]

  64. 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]

    65.