Publications

Scholar / ORCID  (36 entries)

2021

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  • F. Caruso, 
    Ab-initio Description of Valley-Selective Circular Dichroism, 
    submitted (2021)


  • M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, R. Ernstorfer,
    First-principles calculation of multi-phonon diffuse scattering in solids,
    submitted (2021) [arXiv]


  • M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, R. Ernstorfer,
    Multi-phonon diffuse scattering in solids from first-principles: Application to 2D MoS2, bulk MoS2, and black phosphorous.
    submitted (2021) [arXiv]


  • F. Caruso, P. Amsalem, J. Ma, A. Aljarb, M. Zacharias, V. Tung, N. Koch, C. Draxl
    Two-dimensional plasmonic polarons in n-doped monolayer MoS2
    Submitted (2020) [arXiv]


  • P. Amsalem, J. Ma, T. Schultz, F. Caruso, D. Shin, A. Aljarb, E. Longhi, S. Barlow, S. R. Marder, C. Draxl, V. Tung, S. Park, N. Koch
    Substrate-dependent sulfur-vacancy induced band structure renormalization and doping of monolayer MoS2 and WS2
    Submitted (2020)


  • H. Seiler, D. Zahn, M. Zacharias, P. Hildebrandt, T. Vasileiadis, Y. W. Windsor, Y. Qi, C. Carbogno, C. Draxl, R. Ernstorfer, F. Caruso
    Accessing the anisotropic non-thermal phonon populations in black phosphorus
    Submitted (2020)  [arXiv]


2019 - 2020

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2017 - 2018

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  • J. M. Riley, F. Caruso, C. Verdi, L. B. Duffy, M. D. Watson, L. Bawden, K. Volckaert, G. van der Laan, T. Hesjedal, M. Hoesch, F. Giustino, P. D. C. King
    Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO
    Nature Communications 9, 2305 (2018)



  • F. Caruso, C. Verdi, S. Poncé, F. Giustino
    Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2
    Physical Review B 97, 165113 (2018)


  • F. Caruso, C. Verdi, F. Giustino
    Many-Body Calculations of Plasmon and Phonon Satellites in Angle-Resolved Photoelectron Spectra Using the Cumulant Expansion Approach
    Handbook of Materials Modeling (2018)  [arXiv]


  • F. Caruso, F. Giustino
    Non-adiabatic crystal-lattice dynamics in superconducting diamond
    Highlights of the European Synchrotron Radiation Facility (2017) [PDF]



2015 - 2016

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  • B. Gumhalter, V. Kovac, F. Caruso, H. Lambert, F. Giustino
    On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands
    Physical Review B 94, 035103 (2016)








  • M. Hellgren, F. Caruso, D. R. Rohr, X. Ren, A. Rubio, M. Scheffler, P. Rinke
    Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation,
    Physical Review B 91, 165110 (2015)

2007 - 2014

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  • F. Caruso, V. Atalla, X. Ren, A. Rubio, M. Scheffler, P. Rinke
    First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory
    Physical Review B 90, 085141 (2014)



  • V. Atalla, M. Yoon, F. Caruso, P. Rinke, M. Scheffler
    Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach
    Physical Review B 88, 165122 (2013)



  • F. Caruso, D. R. Rohr, M. Hellgren, X. Ren, P. Rinke, A. Rubio, M. Scheffler
    Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory
    Physical Review Letters 110, 146403 (2013)


  • N. Marom, F. Caruso, X. Ren, O. T. Hofmann, T. Korzdorfer, J. R. Chelikowsky, A. Rubio, M. Scheffler, P. Rinke
    A Benchmark of GW Methods for Azabenzenes
    Physical Review B 86, 245127 (2012)



Talks

April, 29th 2021

RQMP Seminar, McGill University, Montreal, Canada
Nonequilibrium dynamics of crystal lattices [PDF]

March, 1st 2021

DPG SurfaceScience2021
Nonequilibrium lattice dynamics in 2D materials [PDF]