Francesco Mauri

Q: What Schools Are Affiliated With Francesco Mauri

Francesco Mauri is affiliated with the following schools: Sorbonne University, University of Warwick, University of California, Berkeley, University of Milan, University of Oxford

Francesco Mauri's AcademicInfluence.com Rankings

Francesco Mauri

Physics

#4946

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#6699

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Physics

Francesco Mauri's Degrees

PhD Physics University of Milan
Masters Physics University of Milan
Bachelors Physics University of Milan

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Francesco Mauri's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials (2009) (17921)
Raman spectrum of graphene and graphene layers. (2006) (10786)
Advanced capabilities for materials modelling with Quantum ESPRESSO (2017) (2667)
The Raman Fingerprint of Graphene (2006) (1679)
All-electron magnetic response with pseudopotentials: NMR chemical shifts (2001) (1264)
Breakdown of the adiabatic Born-Oppenheimer approximation in graphene. (2007) (1055)
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials (2007) (673)
Kohn anomalies and electron-phonon interactions in graphite. (2004) (660)
Advanced capabilities for materials modelling with Quantum ESPRESSO. (2017) (578)
Born-Oppenheimer Breakdown in Graphene (2006) (472)
Structure, stability, edge states, and aromaticity of graphene ribbons. (2008) (455)
Theory of double-resonant Raman spectra in graphene: Intensity and line shape of defect-induced and two-phonon bands (2011) (449)
Nonadiabatic Kohn anomaly in a doped graphene monolayer. (2006) (415)
First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view. (2012) (402)
Thermal conductivity of graphene and graphite: collective excitations and mean free paths. (2014) (401)
Optical phonons in carbon nanotubes: Kohn anomalies, Peierls distortions, and dynamic effects (2006) (398)
Phonon-mediated superconductivity in graphene by lithium deposition (2012) (367)
Phonon hydrodynamics in two-dimensional materials (2015) (342)
Accurate first principles prediction of 17O NMR parameters in SiO2: assignment of the zeolite ferrierite spectrum. (2003) (333)
Raman spectroscopy as probe of nanometre-scale strain variations in graphene (2014) (325)
Phonon anharmonicities in graphite and graphene. (2007) (311)
Two-Dimensional Self-Assembly of Supramolecular Clusters and Chains (1999) (303)
High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor. (2015) (301)
Phonon linewidths and electron-phonon coupling in graphite and nanotubes (2005) (290)
Magnesium incorporation into hydroxyapatite. (2011) (288)
First-principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2. (2002) (265)
X-ray absorption near-edge structure calculations with the pseudopotentials: Application to the K edge in diamond and α-quartz (2002) (239)
Impact of the electron-electron correlation on phonon dispersion:Failure of LDA and GGA DFT functionals in graphene and graphite. (2008) (212)
Electron transport and hot phonons in carbon nanotubes. (2005) (206)
Ab Initio Study of the Hydroxylated Surface of Amorphous Silica: A Representative Model (2008) (204)
First-principles modeling of the infrared spectrum of kaolinite (2001) (194)
Clar's theory, pi-electron distribution, and geometry of graphene nanoribbons. (2010) (189)
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides (2013) (186)
Equilibrium isotopic fractionation in the kaolinite, quartz, water system: Prediction from first-principles density-functional theory (2007) (184)
Ab initio variational approach for evaluating lattice thermal conductivity (2012) (176)
Variations in the work function of doped single- and few-layer graphene assessed by Kelvin probe force microscopy and density functional theory (2011) (168)
Unified theory of thermal transport in crystals and glasses (2019) (167)
Transport properties of graphene in the high-current limit. (2009) (165)
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride (2019) (158)
Iron isotope fractionation between pyrite (FeS2), hematite (Fe2O3) and siderite (FeCO3): A first-principles density functional theory study (2009) (157)
Anomalous High‐Temperature Superconductivity in YH6 (2021) (157)
Theoretical explanation of superconductivity in C6Ca. (2005) (153)
An investigation of weak CH...O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy. (2005) (153)
Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene (2013) (150)
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system (2016) (146)
Combined first-principles computational and experimental multinuclear solid-state NMR investigation of amino acids. (2005) (143)
First-Principles Calculation of 17O, 29Si, and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses (2004) (142)
Atomic structure of icosahedral B4C boron carbide from a first principles analysis of NMR spectra. (2001) (132)
Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study (2009) (132)
Si-O-Si bond-angle distribution in vitreous silica from first-principles 29 Si NMR analysis (2000) (131)
Doping in carbon nanotubes probed by Raman and transport measurements. (2007) (129)
A comparison of methods for the calculation of NMR chemical shifts (1999) (129)
Effect of dimensionality on the charge-density-wave in few-layers 2H-NbSe$_2$ (2009) (129)
Electron-phonon coupling and electron self-energy in electron-doped graphene: calculation of angular resolved photoemission spectra (2007) (126)
Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene (2017) (126)
Ab initio study of gap opening and screening effects in gated bilayer graphene (2009) (124)
First-principles theory of anharmonicity and the inverse isotope effect in superconducting palladium-hydride compounds. (2013) (123)
Electron-phonon interactions and the intrinsic electrical resistivity of graphene. (2014) (123)
Boroxol Rings in Liquid and Vitreous B2O3 from First Principles. (2008) (122)
A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen. (2005) (119)
First-principles study of the OH-stretching modes of gibbsite (2006) (119)
First-principles theory of the EPR g tensor in solids: defects in quartz. (2001) (117)
Breakdown of Optical Phonons' Splitting in Two-Dimensional Materials. (2016) (116)
First-principles calculations of x-ray absorption in a scheme based on ultrasoft pseudopotentials: Fromα-quartz to high-Tccompounds (2009) (110)
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations (2016) (109)
First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity (2015) (107)
Phonon dispersion and lifetimes in MgB2. (2002) (100)
Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs (2015) (97)
Dissociation products and structures of solid H 2 S at strong compression (2015) (96)
Charge-density wave and superconducting dome in TiSe2 from electron-phonon interaction. (2011) (94)
NMR chemical shifts of ice and liquid water: The effects of condensation (2000) (93)
First-principles calculation of the 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory. (2004) (90)
Phonon-limited resistivity of graphene by first-principles calculations: Electron-phonon interactions, strain-induced gauge field, and Boltzmann equation (2014) (89)
Calcium Phosphates and Hydroxyapatite: Solid-State NMR Experiments and First-Principles Calculations (2007) (88)
Kohn anomalies and non-adiabaticity in doped carbon nanotubes (2007) (86)
First-principles calculation of the infrared spectrum of hematite (2002) (85)
Evidence for Flat Bands near the Fermi Level in Epitaxial Rhombohedral Multilayer Graphene. (2015) (85)
Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations. (2010) (83)
Coupled dynamics of electrons and phonons in metallic nanotubes: Current saturation from hot-phonon generation (2006) (82)
New perspectives on calcium environments in inorganic materials containing calcium–oxygen bonds: A combined computational–experimental 43Ca NMR approach (2008) (79)
Combined ab initio computational and experimental multinuclear solid‐state magnetic resonance study of phenylphosphonic acid (2004) (79)
First-principles study of OH-stretching modes in kaolinite, dickite, and nacrite (2005) (79)
Structure and stability of graphene nanoribbons in oxygen, carbon dioxide, water, and ammonia (2010) (77)
First-principles calculation of the 17O NMR parameters of a calcium aluminosilicate glass. (2005) (76)
Theoretical Investigation of Oxygen-17 NMR Shielding and Electric Field Gradients in Glutamic Acid Polymorphs (2004) (76)
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation (2017) (74)
Position and momentum mapping of vibrations in graphene nanostructures (2018) (73)
Structure, Bonding, and Geochemistry of Xenon at High Pressures (1997) (72)
A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems. (2007) (72)
First-Principles Nuclear Magnetic Resonance Structural Analysis of Vitreous Silica (2009) (72)
Anharmonic phonon frequency shift in MgB 2 (2003) (72)
Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation (2003) (71)
Adiabatic and nonadiabatic phonon dispersion in a Wannier function approach (2010) (71)
Raman spectroscopy of graphene under ultrafast laser excitation (2017) (70)
Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations. (2011) (69)
Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe$_2$ under pressure (2015) (68)
Current-voltage characteristics of graphene devices: Interplay between Zener-Klein tunneling and defects (2010) (68)
Intrinsic charge transfer gap in NiO from Ni K-edge x-ray absorption spectroscopy (2009) (67)
Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations (2005) (67)
Superconductivity from doping boron icosahedra (2003) (66)
Density functional theory description of hole-trapping inSiO2: A self-interaction-corrected approach (2004) (65)
Doped graphene as tunable electron-phonon coupling material. (2010) (64)
Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability (2016) (64)
First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, Sb2Te3, and Ge2Sb2Te5 (2017) (62)
Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions (2009) (61)
Structural and electronic relaxations around substitutional Cr3+ and Fe3+ ions in corundum (2003) (59)
Structural properties of lithium and sodium tetrasilicate glasses: Molecular dynamics simulations versus NMR experimental and first-principles data (2010) (58)
Intercalant and intermolecular phonon assisted superconductivity in K-doped picene. (2011) (57)
Hidden polymorphs drive vitrification in B2O3. (2012) (56)
The effect of radiation damage on local structure in the crystalline fraction of ZrSiO4: Investigating the 29Si NMR response to pressure in zircon and reidite (2003) (55)
First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides (2014) (55)
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe. (2018) (54)
Theoretical infrared absorption coefficient of OH groups in minerals (2008) (54)
Signature of the two-dimensional phonon dispersion in graphene probed by double-resonant Raman scattering (2013) (52)
First-principles calculation of 17O and 25Mg NMR shieldings in MgO at finite temperature: rovibrational effect in solids. (2005) (51)
Giant nonadiabatic effects in layer metals: raman spectra of intercalated graphite explained. (2008) (51)
Nonlocal pseudopotentials and magnetic fields. (2003) (51)
First-principles calculation of the infrared spectrum of lizardite (2002) (50)
NMR Chemical Shifts in Hard Carbon Nitride Compounds (1998) (50)
First-principles calculation of H/D isotopic fractionation between hydrous minerals and water. (2010) (50)
Structural relaxations around Ti, Cr and Fe impurities in α-Al2O3 probed by x-ray absorption near-edge structure combined with first-principles calculations (2005) (49)
Equilibrium magnesium isotope fractionation between aqueous Mg2+ and carbonate minerals: Insights from path integral molecular dynamics (2015) (49)
High-Tc superconductivity in superhard diamondlike BC5. (2008) (49)
Ab initio resonant Raman spectra of diamond-like carbons (2005) (48)
Implementation of high resolution 43Ca solid state NMR spectroscopy: toward the elucidation of calcium sites in biological materials. (2009) (48)
Magnetic susceptibility of semiconductors by an all-electron first-principles approach (1997) (46)
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe_{2}. (2017) (46)
Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride (2019) (45)
{ital Ab initio} NMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon (1997) (45)
Ab Initio Calculations of NMR Parameters of Highly Coordinated Oxygen Sites in Aluminosilicates (2004) (44)
Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory (2006) (44)
Electronic structure of heavily doped graphene: The role of foreign atom states (2007) (43)
Quantum Enhancement of Charge Density Wave in NbS2 in the Two-Dimensional Limit. (2019) (43)
Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide (2015) (43)
Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles (2018) (42)
Spin and orbital magnetic response in metals: Susceptibility and NMR shifts (2007) (42)
A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect? (2013) (42)
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation (2018) (40)
First Principles Calculations of NMR Parameters in Biocompatible Materials Science: The Case Study of Calcium Phosphates, β- and γ-Ca(PO3)2. Combination with MAS-J Experiments (2007) (40)
Oxygen K -edge XANES of germanates investigated using first-principles calculations (2007) (39)
Electrochemical doping of few-layer ZrNCl from first principles: Electronic and structural properties in field-effect configuration (2014) (38)
Optomechanical Measurement of Thermal Transport in Two-Dimensional MoSe2 Lattices. (2019) (38)
Anharmonic and non-adiabatic effects in MgB2: Implications for the isotope effect and interpretation of Raman spectra (2007) (37)
Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles (2016) (37)
Optical phonons of graphene and nanotubes (2007) (37)
Flat electronic bands in long sequences of rhombohedral-stacked graphene (2017) (36)
First-principles theory of orbital magnetization (2009) (36)
Theoretical investigation of iron isotope fractionation between pyrite, hematite and siderite (2010) (36)
Electronic-enthalpy functional for finite systems under pressure. (2005) (36)
First principles NMR calculations of phenylphosphinic acid C6H5HPO(OH): assignments, orientation of tensors by local field experiments and effect of molecular motion. (2007) (35)
Multiple ionic-plasmon resonances in naturally occurring multiwall nanotubes: infrared spectra of chrysotile asbestos. (2002) (35)
Electronic and vibrational properties of TiSe 2 in the charge-density-wave phase from first principles (2015) (35)
XANES calculation with an efficient “non muffin-tin” method: application to the angular dependence of the Al K-edge in corundum (2005) (34)
Erratum: Electron transport and hot phonons in carbon nanotubes (Phys. Rev. Lett. (2005) 95 (236802)) (2005) (34)
New perspectives in the PAW/GIPAW approach: JP‐O‐Si coupling constants, antisymmetric parts of shift tensors and NQR predictions (2010) (34)
Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations (2005) (33)
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations (2019) (32)
EPR g-tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations (2006) (32)
1H, 13C, and 15N solid-state NMR studies of imidazole- and morpholine-based model compounds possessing halogen and hydrogen bonding capabilities (2008) (32)
Canonical Statistical Averages of Coupled Quantum-Classical Systems (1993) (31)
Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Γ valley of GaAs (2016) (30)
High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects (2018) (29)
Probing the electrostatic environment of bilayer graphene using Raman spectra (2009) (29)
Theory of resonant Raman scattering of tetrahedral amorphous carbon (2001) (29)
The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects (2021) (29)
Two-dimensional analysis of the double-resonant 2D Raman mode in bilayer graphene. (2014) (28)
The aperiodic states of zircon: an ab initio molecular dynamics study (2003) (28)
Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies (2015) (27)
First‐principles calculations of NMR parameters for phosphate materials (2010) (26)
Resonant diffraction in FeS 2 : Determination of the x-ray polarization anisotropy of iron atoms (2004) (25)
Electron-phonon coupling and phonon self-energy in MgB 2 : Interpretation of MgB 2 Raman spectra (2004) (25)
Anharmonic enhancement of superconductivity in metallic molecular Cmca − 4 hydrogen at high pressure: a first-principles study (2016) (25)
GIPAW (gauge including projected augmented wave) and local dynamics in 13C and 29Si solid state NMR: the study case of silsesquioxanes (RSiO1.5)8. (2009) (25)
Structural properties of carbon nanotubes derived from (13)C NMR (2011) (25)
Weak anharmonic effects in MgB2 : A comparative inelastic x-ray scattering and Raman study (2007) (24)
Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics (2014) (24)
Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe_{2}. (2020) (24)
Structural study of calcium phosphonates: a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approach (2013) (24)
Theoretical investigation of the anomalous equilibrium fractionation of multiple sulfur isotopes during adsorption (2009) (23)
Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz. (2015) (22)
van der Waals driven anharmonic melting of the 3D charge density wave in VSe2 (2021) (22)
O(N) tight-binding molecular dynamics on massively parallel computers : an orbital decomposition approach (1996) (22)
17O solid-state NMR and first-principles calculations of sodium trimetaphosphate (Na3P3O9), tripolyphosphate (Na5P3O10), and pyrophosphate (Na4P2O7). (2008) (22)
Dispersion effects in SiO2 polymorphs: An ab initio study (2015) (22)
Comment on "New data on equilibrium iron isotope fractionation among sulfides: Constraints on mechanisms of sulfide formation in hydrothermal and igneous systems" by V.B. Polyakov and D.M. Soultanov (2012) (21)
Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles (2019) (21)
Characterizing intrinsic charges in top gated bilayer graphene device by Raman spectroscopy (2012) (20)
Giant effective charges and piezoelectricity in gapped graphene (2019) (20)
Ab initiog ‐tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces (2010) (20)
Quantum Monte Carlo Study of the Protonated Water Dimer. (2013) (19)
SIGNATURE OF SURFACE STATES ON NMR CHEMICAL SHIFTS : A THEORETICAL PREDICTION (1999) (19)
Local and nonlocal electron-phonon couplings in K 3 picene and the effect of metallic screening (2012) (19)
Density-functional calculation of static screening in two-dimensional materials: The long-wavelength dielectric function of graphene (2015) (19)
High-field transport in graphene: the impact of Zener tunneling (2015) (19)
New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study. (2010) (19)
First-principles determination of the Raman fingerprint of rhombohedral graphite (2017) (18)
High-resolution solid state NMR experiments for the characterization of calcium phosphate biomaterials and biominerals (2011) (18)
Extraordinary high room-temperature carrier mobility in graphene-WSe$_2$ heterostructures (2019) (18)
High-order density-matrix perturbation theory (2003) (18)
Density Functional Theory Study of the Structure and 13C Chemical Shifts of Retinylidene Iminium Salts (2000) (17)
Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass (2013) (17)
X-ray Diffraction and NMR Studies of Na3−nLinAlH6 (n = 0, 1, 2) Alanates Synthesized by High-Pressure Reactive Ball Milling (2009) (17)
Anharmonicity and doping melt the charge density wave in single layer TiSe2. (2020) (16)
Reducing the thermal conductivity of carbon nanotubes below the random isotope limit (2009) (16)
Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer (2016) (15)
Nanoscale mechanisms for the reduction of heat transport in bismuth (2016) (14)
Hydrodynamic Heat Transport Regime in Bismuth: A Theoretical Viewpoint. (2018) (14)
Stability of two-dimensional nanostructures (1999) (13)
Origin of superconductivity of CaC6 and of other intercalated graphites (2006) (13)
Equations of state ofRbxC60(x=3, 4, and 6) (2004) (13)
Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect (2016) (13)
Energy relaxation mechanism of hot-electron ensembles in GaAs: Theoretical and experimental study of its temperature dependence (2018) (13)
Gate Tunable Magnetism and Giant Magnetoresistance in ABC-stacked Few-Layer Graphene (2019) (12)
Quasicrystal-related phases in tetrahedral semiconductors: Structure, disorder, and ab initio calculations (1999) (12)
Calcium phosphates: First-principles calculations vs. solid-state NMR experiments (2008) (12)
SiCCSi antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching (2010) (12)
Optical phonons in nanotubes: electron-phonon coupling, Kohn anomalies, Peierls distortions and dynamic effects (2006) (12)
Calculations of Magnetic Resonance Parameters in Solids and Liquids Using Periodic Boundary Conditions (2004) (12)
X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra (2017) (11)
First principles study of water adsorption on the (100) surface of zircon: Implications for zircon dissolution (2001) (11)
Zener tunneling in the electrical transport of quasimetallic carbon nanotubes (2012) (11)
Theory of the thickness dependence of the charge density wave transition in 1 T-TiTe2 (2020) (11)
First-principles calculation of lattice thermal conductivity in crystalline phase change materials : GeTe , Sb 2 Te 3 , and Ge 2 Sb 2 Te 5 (2019) (11)
Theoretical investigation of moganite (2005) (11)
Nitrogen Donor Aggregation in 4H-SiC: g-Tensor Calculations (2007) (11)
The double-resonance Raman spectra in single-chirality (n, m) carbon nanotubes (2017) (11)
Comparative study of the phonons in nonsuperconducting BaC 6 and superconducting CaC 6 using inelastic x-ray scattering (2011) (11)
Maximum Tc at the verge of a simultaneous order-disorder and lattice-softening transition in superconducting CaC6 (2008) (11)
Erratum: Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations [Phys. Rev. B 94 , 085415 (2016)] (2017) (10)
FIRST-PRINCIPLES WANNIER FUNCTIONS OF SILICON AND GALLIUM ARSENIDE (1996) (10)
Downfolding electron-phonon Hamiltonians from ab initio calculations: Application to K 3 picene (2014) (9)
Neutron scattering study of the high-energy graphitic phonons in superconducting CaC6 (2009) (9)
Ga self‐interstitials in GaN investigated by ab‐initio calculations of the electronic g ‐tensor (2008) (9)
Superconductivity in metal‐coated graphene (2012) (9)
Structure, reactivity and spectroscopic properties of minerals from lateritic soils: insights from ab initio calculations (2007) (8)
Anharmonic phonon spectra of PbTe and SnTe in the self-consistent harmonic approximation (2017) (8)
Boosting electronic transport in carbon nanotubes by isotopic disorder. (2009) (8)
Wigner Formulation of Thermal Transport in Solids (2021) (8)
Many-body Green's function approach to lattice thermal transport (2022) (8)
Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions (2020) (8)
Thermal transport in isotopically disordered carbon nanotubes: a comparison between Green’s functions and Boltzmann approaches (2009) (7)
Field-effect-driven half-metallic multilayer graphene (2018) (7)
Universal increase in the superconducting critical temperature of two-dimensional semiconductors at low doping by the electron-electron interaction. (2014) (7)
Electronic density distorsion of NiO2 due to intercalation by Li (2004) (7)
Comment on "Electronic structure of superconducting KC8 and nonsuperconducting LiC6 graphite intercalation compounds: evidence for a graphene-sheet-driven superconducting state". (2012) (7)
Electric field exfoliation and high-TC superconductivity in field-effect hole-doped hydrogenated diamond (111) (2019) (6)
Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation (2019) (6)
Vibrational properties of tetrahedral amorphous carbon from first principles (1999) (6)
van der Waals forces stabilize low-energy polymorphism in B2O3 : Implications for the crystallization anomaly (2019) (6)
Publisher's Note: Electronic structure of heavily doped graphene: The role of foreign atom states [Phys. Rev. B 76 , 161406 (2007)] (2007) (6)
Structural and electronic relaxations around substitutional Cr 3 + and Fe 3 + ions in corundum (2017) (6)
The thermodynamic stability and simulated STM images of graphene nanoribbons (2009) (6)
The microscopic origin of the anomalous isotopic properties of ice relies on the strong quantum anharmonic regime of atomic vibration. (2021) (5)
Characterizing top gated bilayer graphene interaction with its environment by Raman spectroscopy (2011) (5)
Intrinsic Vibrational Angular Momentum from Nonadiabatic Effects in Noncollinear Magnetic Molecules. (2021) (5)
Ab-Initio Calculations on Borate Systems (2006) (5)
SiCCSiAntisite Pairs as Dominant Irradiation Induced Defects in p-Type 4H-SiC (2009) (5)
Kohn Anomalies in Graphite and Nanotubes (2004) (5)
Ab initio calculation of the Cr K-edge in α-Al2O3:Cr3+ (2005) (5)
Phonon dispersion and low energy anomaly in CaC$_6$. (2009) (5)
Long-Range Rhombohedral-Stacked Graphene through Shear (2020) (5)
Ab-initio energetics of graphite and multilayer graphene: stability of Bernal versus rhombohedral stacking (2020) (4)
First-principles theory of infrared vibrational spectroscopy of metals and semimetals: Application to graphite (2020) (4)
Probing the doping in metallic and semiconducting carbon nanotubes by Raman and transport measurements (2007) (4)
Electron-Phonon Interaction and Longitudinal-Transverse Phonon Splitting in Doped Semiconductors. (2022) (4)
Publisher's Note: Electron Transport and Hot Phonons in Carbon Nanotubes [Phys. Rev. Lett. 95, 236802 (2005)] (2005) (4)
Crystallographic distortion around chromium and iron in rubies and sapphires (2001) (3)
Ab initio study of the LiH phase diagram at extreme pressures and temperatures (2019) (3)
Tuning the Kohn Anomaly in the Phonon Dispersion of Graphene by Interaction with the Substrate and by Doping (2011) (3)
Quantum phase diagram of high-pressure hydrogen (2022) (3)
New Insight in Scandium-Mediated Growth Techniques: Sc-Related Defects in 4H-SiC and 6H-SiC (2007) (3)
An investigation of weak CH center dot center dot center dot O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy (2005) (3)
High- Tc superconductivity in weakly electron-doped HfNCl (2017) (3)
Hybrid-functional electronic structure of multilayer graphene (2020) (3)
Huge anharmonic effects in superconducting hydrides and transition metal dichalcogenides (2014) (2)
Anharmonic melting of the charge density wave in single-layer TiSe2 (2019) (2)
\textit{Ab Initio} Theory of Nuclear Magnetic Resonance Shifts in Metals (2005) (2)
Dominant Role of Quantum Anharmonicity in the Stability and Optical Properties of Infinite Linear Acetylenic Carbon Chains. (2021) (2)
First‐Principles Full‐Potential Calculations of the Fe K Pre‐Edge and Near‐Edge Structure in Carbonmonoxy‐Myoglobin (2007) (2)
Anharmonicity and the isotope effect in superconducting lithium at high pressures: A first-principles approach (2017) (2)
Silicon and carbon structures with icosahedral order, phason jumps, and disorder (2001) (2)
Predicting the thermal conductivity in a graphene nanoflake from its response to a thermal impulse (2016) (2)
Gate-Tunable Magnetism and Giant Magnetoresistance in Suspended Rhombohedral-Stacked Few-Layer Graphene. (2022) (2)
Breakdown of the adiabatic approximation in a doped graphene monolayer and in metallic carbon nanotubes (2007) (2)
X-ray natural linear dichroism (XNLD) applied to the determination of relaxations around transition metal impurities in α-Al2O3 (2005) (2)
Bending rigidity and sound propagation in graphene (2020) (2)
Enhancement of spin susceptibility and electron-phonon coupling by exchange interaction in Li$_x$ZrNCl at low doping: insight from hybrid functional approaches (2016) (2)
Electron-phonon interaction and phonon frequencies in two-dimensional doped semiconductors (2022) (2)
Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach (2020) (2)
Ab-initio NMR chemical shift of diamond, CVD Diamond, andAmorphous Carbon (1997) (1)
Fröhlich electron-phonon interaction and LO-TO splitting in doped semiconductors (2022) (1)
The Edges of Hydrogen Terminated Graphene Ribbons Energetics, Bandstructure and Magnetization (2008) (1)
Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of Li x ZrNCl (2016) (1)
Erratum to "Theoretical investigation of the anomalous equilibrium fractionation of multiple sulfur (2009) (1)
Phonon collapse and van der Waals melting of the 3D charge density wave of VSe$_2$ (2020) (1)
Quantum Simulations Using Linear Scaling Methods: Clusters on Surfaces (1998) (1)
Kohn Anomalies and Electron‐Phonon Coupling in Carbon Nanotubes (2005) (1)
NUMBER 9 Phonon Dispersion and Lifetimes in MgB 2 (1)
Corrigendum to “Equilibrium magnesium isotope fractionation between aqueous Mg2+ and carbonate minerals: Insights from path integral molecular dynamics” [Geochim. Cosmochim. Acta 163 (2015) 126–139] (2015) (1)
New Developments in Quantum Molecular Dynamics: Excited State Dynamics and Large Scale Simulations (1994) (1)
Si[subscript C]C[subscript Si] antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching (2010) (1)
X-ray Absorption Near-edge and Pre-edge Structure: The Contributions of ab initio Plane-wave Pseudopotential Calculations and of Multiplet Theory (2004) (1)
HIGHLIGHT OF THE MONTH : ” Infrared spectrum of hydrous minerals from first-principles calculations ” Infrared spectrum of hydrous minerals from first-principles calculations (1)
Weak Dimensionality Dependence of the Charge Density Wave Transition in NbSe$_2$ (2020) (1)
First principles calculations of X-ray absorption in an ultrasoft pseudopotentials scheme: from $\alpha$-quartz to high-T$_c$ compounds (2009) (1)
Study of insulator to metal transition in Rb4C60 by coherent and incoherent X-ray scattering under pressure (2006) (1)
Thermal conductivity of glasses above the plateau: first-principles theory and applications (2022) (1)
Raman spectroscopy of graphene under ultrafast laser excitation (2018) (1)
Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals (2022) (1)
Calandra and Mauri reply. (2014) (1)
How to make graphene superconducting (2011) (1)
Understanding electron-phonon interactions in doped graphene: the case of Li-intercalated graphite (2012) (1)
Anharmonic effects in carbon nanotubes: from thermal expansion to phonon lifetimes (2006) (1)
Inelastic X ray scattering under pressure to probe the quantum phase transition in the transition metal dichalcogenides (2017) (0)
Thermal transport in isotopically disordered carbon nanotubes (2008) (0)
This paper is published as part of a PCCP Themed Issue on: Solid-State NMR Spectroscopy (2009) (0)
Probing enhanced electron-phonon coupling in graphene by infrared resonance Raman spectroscopy (2022) (0)
Large impact of phonon lineshapes on the superconductivity of solid hydrogen (2023) (0)
First-principles calculation of lattice thermal conductivity in crystalline phase change materials : GeTe , Sb 2 (2019) (0)
XNLD applied to th edetermination of relaxation around impurities in corundum. (2005) (0)
Solid state magnetic resonance from first principles: applications to silicates (2003) (0)
Anharmonic suppression of charge-density-wave instability in bulk and monolayer NbS 2 (2019) (0)
Temperature dependent phonon renormalization in metallic nanotubes (2007) (0)
Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation (2017) (0)
1 2 A pr 2 01 0 Effects of magnetism and doping on the electron-phonon coupling in BaFe 2 As (2010) (0)
Superconducting properties in Li$_x$ZrNCl from first principles (2014) (0)
What carries heat in novel 2D semiconductors (2016) (0)
Nonperturbative Green's function method to determine the electronic spectral function due to electron-phonon interactions: Application to a graphene model from weak to strong coupling (2022) (0)
Ab initio variational solution for lattice thermal conductivity in diamond (2012) (0)
ELECTRON-PHONON AND PHONON-PHONON COUPLING IN SEMICONDUCTORS AND BISMUTH: THEORETICAL APPROACHES (2015) (0)
A First Principles Approach to Thermal Transport in Nanomaterials (2012) (0)
Exchange Enhancement of the Electron-Phonon Interaction: the Case of Weakly Doped Two-Dimensional Multivalley Semiconductors (2017) (0)
Giant nonadiabatic effects in layer metals: Raman spectra of intercalated graphite and doped graphene explained. (2009) (0)
Giant non-adiabatic effects in layer metallic compounds by first principles calculations (2008) (0)
CDW temperature in bulk and monolayer transition metal dichalcogenides from first-principles (2019) (0)
Exchange and correlation effects on the superconducting transition of two-dimensional multivalley semiconductors (2016) (0)
Electron-phonon renormalization effects in the ARPES spectra of doped graphene: a first principles approach (2007) (0)
At the edges of graphene nanoribbons (2010) (0)
Ju n 20 06 Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory (2021) (0)
QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization (2018) (0)
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations (2020) (0)
Enhancement of Superconductivity and Lattice Instability in Graphite-Intercalated CaC6 (2014) (0)
Unusual Stoichiometry H4S3 Formed in Compressed H2S (2015) (0)
Quadratic flexural acoustic phonons and in-plane sound propagation in graphene. (2020) (0)
First principles theory of the EPR g-tensor in solids (2004) (0)
Superconductivity in C6Ca (2005) (0)
Electronic structure and charge density wave instability in TiSe2: the effect of non-local exchange (2017) (0)
Rb4C60 equation of states and electronic density study by Compton scattering (2005) (0)
Ab initio Calculations of NMR Parameters of Highly Coordinated Oxygen Sites in Aluminosilicates. (2004) (0)
CorrigendumCorrigendum to ‘Characterizing intrinsic charges in top gated bilayer graphene devices by Raman spectroscopy’ [Carbon 50 (10) (2012) 3435–3439] (2014) (0)
Quasiparticle carrier dynamics in graphene from first principles (2014) (0)
Pressure-induced order-disorder phase transition in superconducting CaC6 (2008) (0)
Born effective charges and vibrational spectra in super and bad conducting metals (2023) (0)
Inverse Isotope Effect in Palladium Hydrides Explained by the Self-Consistent Harmonic Approximation (2013) (0)
Measuring the intrinsic charge transfer gap using K-edge X-ray absorption spectroscopy (2008) (0)
Phonon hydrodynamics in two-dimensional materials Supplementary Information (2015) (0)
Abstract Submitted for the MAR05 Meeting of The American Physical Society (2004) (0)
First‐Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist′s Point of View (2013) (0)
Neutron scattering study of the high-energy graphitic phonons in superconducting CaC (2010) (0)
J un 2 00 4 Electron-phonon coupling and phonon self-energy in MgB 2 : do we really understand MgB 2 Raman spectra ? (2008) (0)
First-principles simulations of finite systems under pressure: a novel approach (2004) (0)
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride (2020) (0)
Position and momentum mapping of vibrations in graphene nanostructures (2019) (0)
Ju l 2 01 7 HighT c superconductivity in weakly electron-doped HfNCl (2018) (0)
Electron-phonon coupling in potassium-doped superconducting picene (2013) (0)
Ab-initio study of doped bilayer graphene (2009) (0)
Density functional theory description of hole-trapping in quartz: a successful self interaction corrected approach (2004) (0)
Dipolar and J- Derived Solid State NMR Techniques and First Principles Calculations Applied to the Structure of Silicophosphates and to the Characterization of Phosphonate Grafting on Silica Nanoparticles (2006) (0)
Interpreting magnetic resonance experiments from first principles (2005) (0)
Ab initio calculation of double-resonant Raman spectra for bi-layer graphene PAOLA GAVA , LSI - (2012) (0)
Anharmonic phonon lifetimes in graphene, graphite and carbon nanotubes (2007) (0)
Thermodynamics and kinetics of group-IV nanoparticles under pressure (2005) (0)
High Pressure and Superconductivity: Intercalated Graphite Cac 6 as a Model System (2010) (0)
Superconductivity in C 6 Ca explained. (2022) (0)
Magnetic Band Gap Opening in Long Sequences of Rhombohedral-stacked Multilayer Graphene (2017) (0)
Localized-orbital computation of linear and nonlinear susceptibilities (1994) (0)
Superconductivity in Alkali-Earth intercalated graphite. (2007) (0)
Unified theory of thermal transport in crystals and glasses (2019) (0)
Hydrogen bond symmetrization by proton quantum motion and high Tc superconductivity in Sulfur hydrides at high pressure. (2016) (0)
Excitonic effects in energy loss spectra of freestanding graphene (2023) (0)
Anharmonic phonon lifetimes in carbon nanotubes, graphene and graphite (2008) (0)
Barcelona-Spain TRANSPORT PROPERTIES OF GRAPHEME IN THE HIGH-CURRENT LIMIT (2009) (0)
N ov 2 00 7 Temperature dependent phonon renormalization in metallic nanotubes (2007) (0)
Quantum thermal transport in glasses: the role of anharmonicity (2020) (0)
Phonon anomalies in Graphene induced by highly excited charge carriers (2017) (0)
Raman spectra of bilayer graphene to probe the electrostatic environment (2009) (0)
Raman spectra of bilayer graphene: a powerful probe of the electrostatic environment (2009) (0)
Nanoscale Vibrational Spectroscopy of Graphene by Large-q EELS (2019) (0)
Ab-initio calculation of magnetic susceptibility and NMR chemical shifts in solids and liquids (1997) (0)
CHARGE, SPIN AND MOMENTUM DENSITY C428 (2005) (0)
Ab initio calculation of double-resonant Raman spectra for bilayer graphene (2011) (0)
PHonon User ’ s Guide (0)

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What Schools Are Affiliated With Francesco Mauri?

Francesco Mauri is affiliated with the following schools: