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Francesco Mauri

Identifiers

  • name variant Francesco Mauri 0.60 · backfill

Papers (114)

  1. Non-adiabatic Ehrenfest dynamics with norm-conserving and ultra-soft pseudo-potentials with nuclear velocity corrections on the atomic orbitals within the Projector Augmented Wave Method framework cond-mat.mes-hall · 2026 · author #4
  2. van der Waals forces stabilize low-energy polymorphism in B2O3: Implications for the crystallization anomaly cond-mat.mtrl-sci · 2019 · author #5
  3. Optomechanical measurement of thermal transport in two-dimensional MoSe2 lattices cond-mat.mes-hall · 2019 · author #9
  4. Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation cond-mat.mtrl-sci · 2019 · author #5
  5. Giant Effective charges and Piezoelectricity in Gapped Graphene cond-mat.mtrl-sci · 2019 · author #5
  6. Quantum enhancement of charge density wave in NbS$_2$ in the 2D limit cond-mat.mtrl-sci · 2019 · author #5
  7. Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe cond-mat.mtrl-sci · 2018 · author #6
  8. Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation cond-mat.mtrl-sci · 2018 · author #4
  9. Field-effect-driven half-metallic multilayer graphene cond-mat.mtrl-sci · 2018 · author #2
  10. High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: structural and vibrational properties including quantum and anharmonic effects cond-mat.mtrl-sci · 2018 · author #4
  11. Hydrodynamic heat transport regime in bismuth: a theoretical viewpoint cond-mat.mtrl-sci · 2018 · author #7
  12. Exchange Enhancement of the Electron-Phonon Interaction: the Case of Weakly Doped Two-Dimensional Multivalley Semiconductors cond-mat.supr-con · 2017 · author #4
  13. Anharmonic phonon spectra of PbTe and SnTe in the self-consistent harmonic approximation cond-mat.mtrl-sci · 2017 · author #5
  14. Flat Electronic Bands in Long Sequences of Rhombohedral-stacked Multilayer Graphene cond-mat.mtrl-sci · 2017 · author #16
  15. The Raman fingerprint of rhombohedral graphite cond-mat.mtrl-sci · 2017 · author #2
  16. High-$T_c$ superconductivity in weakly electron-doped HfNCl cond-mat.supr-con · 2017 · author #2
  17. Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene cond-mat.mtrl-sci · 2017 · author #3
  18. Critical role of the exchange interaction for the electronic structure and charge-density-wave formation in TiSe2 cond-mat.mtrl-sci · 2017 · author #5
  19. Anharmonicity and the isotope effect in superconducting lithium at high pressures: a first-principles approach cond-mat.supr-con · 2017 · author #5
  20. Second order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation cond-mat.mtrl-sci · 2017 · author #5
  21. Breakdown of optical phonons' splitting in two-dimensional materials cond-mat.mtrl-sci · 2016 · author #4
  22. Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles cond-mat.mtrl-sci · 2016 · author #3
  23. Two-dimensional Fr\"ohlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations cond-mat.mtrl-sci · 2016 · author #3
  24. Anharmonic effects in atomic hydrogen: superconductivity and lattice dynamical stability cond-mat.supr-con · 2016 · author #4
  25. Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of Li$_x$ZrNCl cond-mat.supr-con · 2016 · author #5
  26. Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect cond-mat.mes-hall · 2016 · author #3
  27. Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide cond-mat.supr-con · 2015 · author #10
  28. Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies cond-mat.mtrl-sci · 2015 · author #8
  29. Dissociation products and structures of solid H2S at strong compression cond-mat.supr-con · 2015 · author #13
  30. Electronic and vibrational properties of $\textup{TiSe}_2$ in the charge-density wave phase from first principles cond-mat.mes-hall · 2015 · author #3
  31. Density-functional calculation of static screening in 2D materials: the long-wavelength dielectric function of graphene cond-mat.mtrl-sci · 2015 · author #3
  32. Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor cond-mat.supr-con · 2015 · author #10
  33. First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity cond-mat.mes-hall · 2015 · author #3
  34. First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides cond-mat.mtrl-sci · 2014 · author #4
  35. Two-dimensional analysis of the double-resonant 2D Raman mode in bilayer graphene cond-mat.mes-hall · 2014 · author #6
  36. Universal enhancement of superconductivity in two dimensional semiconductors at low doping by electron-electron interaction cond-mat.supr-con · 2014 · author #3
  37. Phonon-limited resistivity of graphene by first-principle calculations: electron-phonon interactions, strain-induced gauge field and Boltzmann equation cond-mat.mtrl-sci · 2014 · author #6
  38. Raman spectroscopy as probe of nanometer-scale strain variations in graphene cond-mat.mes-hall · 2014 · author #9
  39. Downfolding electron-phonon Hamiltonians from ab-initio calculations: application to K$_3$Picene cond-mat.str-el · 2014 · author #4
  40. Electrochemical doping of few layer ZrNCl from first-principles: electronic and structural properties in field-effect configuration cond-mat.mes-hall · 2014 · author #3
  41. Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene cond-mat.mtrl-sci · 2014 · author #7
  42. Quantum Monte Carlo study of the protonated water dimer physics.chem-ph · 2013 · author #5
  43. Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydrides cond-mat.mtrl-sci · 2013 · author #3
  44. First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds cond-mat.supr-con · 2013 · author #3
  45. Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass cond-mat.dis-nn · 2013 · author #5
  46. Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene cond-mat.mtrl-sci · 2013 · author #2
  47. Ab initio variational approach for evaluating lattice thermal conductivity cond-mat.mtrl-sci · 2012 · author #4
  48. Zener tunneling in the electrical transport of quasi-metallic carbon nanotubes cond-mat.mes-hall · 2012 · author #3
  49. Local and non-local electron-phonon couplings in K3Picene and the effect of metallic screening cond-mat.supr-con · 2012 · author #3
  50. Hidden polymorphs drive the vitrification in B2O3 cond-mat.mtrl-sci · 2012 · author #4
  51. Intercalant and intermolecular phonon assisted superconductivity in K-doped picene cond-mat.supr-con · 2011 · author #4
  52. How to make graphene superconducting cond-mat.supr-con · 2011 · author #3
  53. Charge density wave and superconducting dome in TiSe2 from electron-phonon interaction cond-mat.mtrl-sci · 2011 · author #2
  54. Theory of double-resonant Raman spectra in graphene: intensity and line shape of defect-induced and two-phonon bands cond-mat.mes-hall · 2011 · author #3
  55. Structure and stability of graphene nanoribbons in oxygen, carbon dioxide, water, and ammonia cond-mat.mes-hall · 2010 · author #5
  56. Adiabatic and non-adiabatic phonon dispersion in a Wannier function approach cond-mat.mtrl-sci · 2010 · author #3
  57. Clar's Theory, STM Images, and Geometry of Graphene Nanoribbons cond-mat.mtrl-sci · 2010 · author #5
  58. Current-voltage characteristics of graphene devices: interplay between Zener-Klein tunneling and defects cond-mat.mtrl-sci · 2010 · author #5
  59. Doped graphene as tunable electron-phonon coupling material cond-mat.mtrl-sci · 2010 · author #4
  60. Effect of dimensionality on the charge-density-wave in few-layers 2H-NbSe$_2$ cond-mat.mtrl-sci · 2009 · author #3
  61. Raman spectra of bilayer graphene to probe the electrostatic environment cond-mat.mtrl-sci · 2009 · author #4
  62. First principles calculations of X-ray absorption in an ultrasoft pseudopotentials scheme: from $\alpha$-quartz to high-T$_c$ compounds cond-mat.mtrl-sci · 2009 · author #4
  63. Transport properties of graphene in the high-current limit cond-mat.mes-hall · 2009 · author #4
  64. Boosting electronic transport in carbon nanotubes by isotopic disorder cond-mat.mtrl-sci · 2009 · author #3
  65. First-principles theory of the orbital magnetization cond-mat.mtrl-sci · 2009 · author #4
  66. Ab-initio study of gap opening and screening effects in gated bilayer graphene cond-mat.mtrl-sci · 2009 · author #4
  67. Thermal transport in isotopically disordered carbon nanotubes cond-mat.mtrl-sci · 2008 · author #3
  68. Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite cond-mat.mtrl-sci · 2008 · author #4
  69. Structure, Stability, Edge States and Aromaticity of Graphene Ribbons cond-mat.mtrl-sci · 2008 · author #5
  70. High T$_c$ superconductivity in superhard diamond-like BC$_{5}$ cond-mat.supr-con · 2008 · author #2
  71. Giant non-adiabatic effects in layer metals: Raman spectra of intercalated graphite explained cond-mat.mtrl-sci · 2008 · author #4
  72. Temperature dependent phonon renormalization in metallic nanotubes cond-mat.mtrl-sci · 2007 · author #5
  73. Probing the doping in metallic and semiconducting carbon nanotubes by Raman and transport measurements cond-mat.mes-hall · 2007 · author #6
  74. Phonon anharmonicities in graphite and graphene cond-mat.mtrl-sci · 2007 · author #4
  75. A First Principles Theory of Nuclear Magnetic Resonance J-Coupling in solid-state systems cond-mat.mtrl-sci · 2007 · author #4
  76. Spin and orbital magnetic response in metals: susceptibility and NMR shifts cond-mat.mtrl-sci · 2007 · author #3
  77. Electron-phonon coupling and electron self-energy in electron-doped graphene: calculation of angular resolved photoemission spectra cond-mat.supr-con · 2007 · author #2
  78. Electronic structure of heavily-doped graphene: the role of foreign atom states cond-mat.mtrl-sci · 2007 · author #2
  79. Anharmonic effects in MgB2? A comparative inelastic X-ray scattering and Raman study cond-mat.mtrl-sci · 2007 · author #6
  80. Kohn anomalies and non-adiabaticity in doped carbon nanotubes cond-mat.soft · 2007 · author #4
  81. Optical Phonons in Carbon Nanotubes: Kohn Anomalies, Peierls Distortions and Dynamic Effects cond-mat.mtrl-sci · 2006 · author #5
  82. Non-adiabatic Kohn-anomaly in a doped graphene monolayer cond-mat.mes-hall · 2006 · author #2
  83. Born-Oppenheimer Breakdown in Graphene cond-mat.mes-hall · 2006 · author #7
  84. Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory cond-mat.supr-con · 2006 · author #2
  85. The Raman Fingerprint of Graphene cond-mat.mtrl-sci · 2006 · author #6
  86. Coupled dynamics of electrons and phonons in metallic nanotubes: current saturation from hot phonons generation cond-mat.mtrl-sci · 2006 · author #2
  87. Magnetic response of carbon nanotubes from ab initio calculations cond-mat.mtrl-sci · 2005 · author #3
  88. Phonon Linewidths and Electron Phonon Coupling in Nanotubes cond-mat.mtrl-sci · 2005 · author #3
  89. Superconductivity in C6Ca cond-mat.supr-con · 2005 · author #2
  90. Electronic-enthalpy functional for finite systems under pressure cond-mat.mtrl-sci · 2005 · author #2
  91. Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations cond-mat.mtrl-sci · 2005 · author #3
  92. Density functional theory description of hole-trapping in SiO$_2$: a successful self-interaction-corrected approach cond-mat.mtrl-sci · 2004 · author #3
  93. Electron-phonon coupling and phonon self-energy in MgB$_2$: do we really understand MgB$_2$ Raman spectra ? cond-mat.supr-con · 2004 · author #2
  94. Superconductivity from doping boron icosahedra cond-mat.supr-con · 2003 · author #3
  95. High-order density-matrix perturbation theory cond-mat.mtrl-sci · 2003 · author #2
  96. Anharmonic phonon frequency shift in MgB2 cond-mat.supr-con · 2003 · author #3
  97. Nonlocal pseudopotentials and magnetic fields cond-mat · 2003 · author #2
  98. Phonon dispersion and lifetimes in MgB2 cond-mat.supr-con · 2002 · author #5
  99. X-ray Absorption Near-Edge Structure calculations with pseudopotentials. Application to K-edge in diamond and alpha-quartz cond-mat · 2002 · author #4
  100. First principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2 cond-mat.mtrl-sci · 2002 · author #2
  101. Multiple plasmon resonances in naturally-occurring multiwall nanotubes: infrared spectra of chrysotile asbestos cond-mat.mtrl-sci · 2002 · author #2
  102. First principles theory of the EPR g-tensor in solids: defects in quartz cond-mat.mtrl-sci · 2001 · author #2
  103. Theory of resonant Raman scattering of tetrahedral amorphous carbon cond-mat.mtrl-sci · 2001 · author #2
  104. All-electron magnetic response with pseudopotentials: NMR chemical shifts cond-mat.mtrl-sci · 2001 · author #2
  105. Ab-initio theory of NMR chemical shifts in solids and liquids cond-mat.mtrl-sci · 1996 · author #1
  106. Phonon softening and superconductivity in tellurium under pressure mtrl-th · 1996 · author #1
  107. Magnetic susceptibility of insulators from first principles mtrl-th · 1996 · author #1
  108. Density-Functional Theory of the nonlinear optical susceptibility: application to cubic semiconductors mtrl-th · 1995 · author #2
  109. First-principle study of excitonic self-trapping in diamond mtrl-th · 1995 · author #1
  110. Total energy global optimizations using non orthogonal localized orbitals mtrl-th · 1994 · author #2
  111. Acceleration Schemes for Ab-Initio Molecular Dynamics and Electronic Structure Calculations cond-mat · 1994 · author #2
  112. Large scale quantum simulations: C_60 impacts on a semiconducting surface cond-mat · 1994 · author #2
  113. Electronic structure calculations and molecular dynamics simulations with linear system-size scaling cond-mat · 1994 · author #1
  114. Localized-orbital computation of linear and nonlinear susceptibilities cond-mat · 1994 · author #2

Mentions

  • 1509.05159 #8 · backfill · confidence 0.70 Francesco Mauri
  • 2606.06185 #4 · arxiv_oai · confidence 0.70 Francesco Mauri
  • 1508.03900 #13 · backfill · confidence 0.70 Francesco Mauri
  • 1503.02740 #3 · backfill · confidence 0.70 Francesco Mauri
  • 1503.02530 #3 · backfill · confidence 0.70 Francesco Mauri
  • 1502.02832 #10 · backfill · confidence 0.70 Francesco Mauri
  • 1501.07223 #3 · backfill · confidence 0.70 Francesco Mauri
  • 1411.5628 #4 · backfill · confidence 0.70 Francesco Mauri
  • 1410.1316 #6 · backfill · confidence 0.70 Francesco Mauri
  • 1408.6502 #3 · backfill · confidence 0.70 Francesco Mauri
  • 1407.0830 #6 · backfill · confidence 0.70 Francesco Mauri
  • 1406.7771 #9 · backfill · confidence 0.70 Francesco Mauri
  • 1406.4108 #4 · backfill · confidence 0.70 Francesco Mauri
  • 1406.2563 #3 · backfill · confidence 0.70 Francesco Mauri
  • 1403.4603 #7 · backfill · confidence 0.70 Francesco Mauri
  • 1312.2897 #5 · backfill · confidence 0.70 Francesco Mauri
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Frequent Coauthors