| Nome |
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Electronic structure and magnetic properties of few-layer Cr2Ge2Te6: The key role of nonlocal electron-electron interaction effects, file e3835196-748a-72ef-e053-3705fe0ad821
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224
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Hybrid-functional electronic structure of multilayer graphene, file e3835196-d689-72ef-e053-3705fe0ad821
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224
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Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenides, file e3835198-edc4-72ef-e053-3705fe0ad821
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174
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Inelastic X ray scattering under pressure to probe the quantum phase transition in the transition metal dichalcogenides, file e3835196-324a-72ef-e053-3705fe0ad821
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172
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Exchange enhancement of the electron–phonon interaction: The case of weakly doped two-dimensional multivalley semiconductors, file e3835196-7568-72ef-e053-3705fe0ad821
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123
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Electronic band structure of Two-Dimensional WS2 /Graphene van der Waals Heterostructures, file e3835196-8667-72ef-e053-3705fe0ad821
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117
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Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation, file e3835196-72e6-72ef-e053-3705fe0ad821
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108
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Advanced capabilities for materials modelling with Quantum ESPRESSO, file e3835196-8ff0-72ef-e053-3705fe0ad821
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107
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Phonon-Assisted Magnetic Mott-Insulating State in the Charge Density Wave Phase of Single-Layer 1T-NbSe2, file e3835196-5b4c-72ef-e053-3705fe0ad821
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104
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Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation, file e3835196-865c-72ef-e053-3705fe0ad821
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100
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High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects, file e3835196-5b4e-72ef-e053-3705fe0ad821
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97
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van der Waals driven anharmonic melting of the 3D charge density wave in VSe2, file e3835197-b8df-72ef-e053-3705fe0ad821
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92
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Flat electronic bands in long sequences of rhombohedral-stacked graphene, file e3835196-2cc0-72ef-e053-3705fe0ad821
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89
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Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles, file e3835196-7488-72ef-e053-3705fe0ad821
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89
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Black metal hydrogen above 360 GPa driven by proton quantum fluctuations, file e3835197-6b48-72ef-e053-3705fe0ad821
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86
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Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: An application to the study of Zn(ii) in water, file e3835196-725d-72ef-e053-3705fe0ad821
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77
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Exchange-driven dimerization, magnetism, and insulating state in diamond (111), file e3835196-48fe-72ef-e053-3705fe0ad821
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76
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Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer, file e3835196-33e7-72ef-e053-3705fe0ad821
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69
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Temperature-Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine-Learned Force Fields, file 6cfbe6e3-53a4-428a-be45-58871359a2a2
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68
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Erratum: Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations (Physical Review B (2016) 94 (085415) DOI: 10.1103/PhysRevB.94.085415), file e3835196-4abc-72ef-e053-3705fe0ad821
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62
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Dissociation products and structures of solid H2 S at strong compression, file e3835196-5c48-72ef-e053-3705fe0ad821
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61
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Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride, file e3835196-72e4-72ef-e053-3705fe0ad821
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47
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Field-effect-driven half-metallic multilayer graphene, file e3835196-2cc4-72ef-e053-3705fe0ad821
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39
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Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles, file e3835196-2cbd-72ef-e053-3705fe0ad821
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37
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Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations, file e3835196-a5cf-72ef-e053-3705fe0ad821
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32
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Effect of electron doping on lattice instabilities in single-layer 1H-TaS2, file e3835196-8822-72ef-e053-3705fe0ad821
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31
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First-principles determination of the Raman fingerprint of rhombohedral graphite, file e3835196-8fee-72ef-e053-3705fe0ad821
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30
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Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene, file e3835196-610c-72ef-e053-3705fe0ad821
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27
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Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles, file e3835196-6107-72ef-e053-3705fe0ad821
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26
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High- Tc superconductivity in weakly electron-doped HfNCl, file e3835196-866e-72ef-e053-3705fe0ad821
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26
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Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe2 under pressure, file e3835196-8662-72ef-e053-3705fe0ad821
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22
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Breakdown of Optical Phonons' Splitting in Two-Dimensional Materials, file e3835196-4aba-72ef-e053-3705fe0ad821
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21
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Heterocontact-Triggered 1H to 1T' Phase Transition in CVD-Grown Monolayer MoTe2: Implications for Low Contact Resistance Electronic Devices, file 51747ab7-3b13-431d-bbc0-ecd298819594
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18
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Misfit Layer Compounds as Ultratunable Field Effect Transistors: From Charge Transfer Control to Emergent Superconductivity, file 55bb51a1-41ab-42fe-a345-d3b5301346db
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18
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High-Pressure Tuning of Magnon-Polarons in the Layered Antiferromagnet FePS3, file 976a6395-eeef-4cfa-b4bd-640ce938043b
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13
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Theory of ultrafast magnetization of nonmagnetic semiconductors with localized conduction bands, file 56c87c93-a0bb-4761-ba5a-a2e60777c325
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10
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Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene, file e3835196-610b-72ef-e053-3705fe0ad821
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9
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Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement, file 3fd51db1-1c5b-4f5f-ada6-c1a9d34f972b
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8
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Breakdown of Optical Phonons' Splitting in Two-Dimensional Materials, file e3835196-4ab9-72ef-e053-3705fe0ad821
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8
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Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability, file e3835197-5948-72ef-e053-3705fe0ad821
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8
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X-ray magnetic and natural circular dichroism from first principles: Calculation of K - And L1 -edge spectra, file e3835196-33e5-72ef-e053-3705fe0ad821
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7
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Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation, file e3835196-5c3e-72ef-e053-3705fe0ad821
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7
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High- Tc superconductivity in weakly electron-doped HfNCl, file e3835196-866d-72ef-e053-3705fe0ad821
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7
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Electronic structure and lattice dynamics of 1T−VSe2: Origin of the three-dimensional charge density wave, file b7738a08-daf3-4290-b631-761a1140004f
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6
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Anharmonicity and the isotope effect in superconducting lithium at high pressures: A first-principles approach, file e3835196-324c-72ef-e053-3705fe0ad821
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6
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Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles, file e3835196-6106-72ef-e053-3705fe0ad821
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6
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Effect of electron doping on lattice instabilities in single-layer 1H-TaS2, file e3835196-8821-72ef-e053-3705fe0ad821
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6
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Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system, file e3835196-33ed-72ef-e053-3705fe0ad821
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5
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Anharmonic enhancement of superconductivity in metallic molecular Cmca - 4 hydrogen at high pressure: A first-principles study, file e3835196-33ef-72ef-e053-3705fe0ad821
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5
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Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2, file e3835196-5a75-72ef-e053-3705fe0ad821
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5
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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, file e3835196-5c40-72ef-e053-3705fe0ad821
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5
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Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability, file e3835196-5c42-72ef-e053-3705fe0ad821
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5
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Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect, file e3835196-5c46-72ef-e053-3705fe0ad821
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5
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Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride, file e3835196-8310-72ef-e053-3705fe0ad821
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5
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Chiral Spin Texture in the Charge-Density-Wave Phase of the Correlated Metallic Pb/Si (111) Monolayer, file e3835196-831a-72ef-e053-3705fe0ad821
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5
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2D MATERIALS Charge density waves go nano, file e3835196-831e-72ef-e053-3705fe0ad821
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5
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Ab initio study of the LiH phase diagram at extreme pressures and temperatures, file e3835196-84d3-72ef-e053-3705fe0ad821
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5
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Energy relaxation mechanism of hot-electron ensembles in GaAs: Theoretical and experimental study of its temperature dependence, file e3835196-84d5-72ef-e053-3705fe0ad821
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5
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Field-effect-driven half-metallic multilayer graphene, file e3835197-6a02-72ef-e053-3705fe0ad821
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5
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Electric field exfoliation and high-TC superconductivity in field-effect hole-doped hydrogenated diamond (111), file e3835196-84d7-72ef-e053-3705fe0ad821
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4
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Phonon mediated superconductivity in field-effect doped molybdenum dichalcogenides, file 80ed5a44-c424-47f0-b558-c10271df60a1
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3
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null, file 96878c68-7ed8-4064-86f0-14ab3a816d32
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3
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Electronic and vibrational properties of TiSe2 in the charge-density-wave phase from first principles, file e3835196-4132-72ef-e053-3705fe0ad821
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3
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Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe2 under pressure, file e3835196-84b5-72ef-e053-3705fe0ad821
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3
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Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles, file e3835197-69f9-72ef-e053-3705fe0ad821
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3
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Infrared Resonance Raman of Bilayer Graphene: Signatures of Massive Fermions and Band Structure on the 2D Peak, file f7448696-57ea-4148-83bb-83e4b2b1f24f
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3
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Lattice dynamics of photoexcited insulators from constrained density-functional perturbation theory, file 4a9ce602-aa4e-4bf7-b5a8-fc7d9ca0e5e2
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2
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Importance of accurately measuring LDOS maps using scanning tunneling spectroscopy in materials presenting atom-dependent charge order: The case of the correlated Pb/Si(111) single atomic layer, file 7c1e69b6-ff23-497c-9f90-f070d9e9ad28
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2
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Probing Enhanced Electron-Phonon Coupling in Graphene by Infrared Resonance Raman Spectroscopy, file 7e1d76ed-f694-4280-95c5-78834b4da157
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2
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First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity, file e3835196-3f92-72ef-e053-3705fe0ad821
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2
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Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs, file e3835196-7419-72ef-e053-3705fe0ad821
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2
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Electronic band structure of Two-Dimensional WS2 /Graphene van der Waals Heterostructures, file e3835196-8669-72ef-e053-3705fe0ad821
|
2
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High-pressure hydrogen sulfide from first principles: A strongly anharmonic phonon-mediated superconductor, file e3835196-8fdd-72ef-e053-3705fe0ad821
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2
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Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation, file e3835196-9413-72ef-e053-3705fe0ad821
|
2
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Dissociation products and structures of solid H2 S at strong compression, file e3835197-2bb7-72ef-e053-3705fe0ad821
|
2
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Electronic structure and lattice dynamics of 1T−VSe2: Origin of the three-dimensional charge density wave, file f4172ebc-92e8-4576-8ea1-4d1f0046a08e
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2
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Anharmonicity and Doping Melt the Charge Density Wave in Single-Layer TiSe2, file 8e6eb06e-2990-4d2d-adc3-cab105c03138
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1
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Theory of infrared double-resonance Raman spectrum in graphene: The role of the zone-boundary electron-phonon enhancement, file 95387c42-ff85-43bc-b219-16498d3664fa
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1
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Excitonic switching across a Z2 topological phase transition: From Mott-Wannier to Frenkel excitons in organic materials, file d369685d-2d0b-4bac-b2df-8d78ec237a07
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1
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First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides, file e3835196-2735-72ef-e053-3705fe0ad821
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1
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Universal increase in the superconducting critical temperature of two-dimensional semiconductors at low doping by the electron-electron interaction, file e3835196-2cc3-72ef-e053-3705fe0ad821
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1
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Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of LixZrNCl, file e3835196-3242-72ef-e053-3705fe0ad821
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1
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Evidence for flat bands near the Fermi level in epitaxial rhombohedral multilayer graphene, file e3835196-4130-72ef-e053-3705fe0ad821
|
1
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Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations, file e3835196-4ac2-72ef-e053-3705fe0ad821
|
1
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|
Density-functional calculation of static screening in two-dimensional materials: The long-wavelength dielectric function of graphene, file e3835196-610e-72ef-e053-3705fe0ad821
|
1
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Electron-phonon interactions and the intrinsic electrical resistivity of graphene, file e3835196-61fc-72ef-e053-3705fe0ad821
|
1
|
|
Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles, file e3835196-9412-72ef-e053-3705fe0ad821
|
1
|
|
Electronic structure and magnetic properties of few-layer Cr2Ge2Te6: The key role of nonlocal electron-electron interaction effects, file e3835196-9b85-72ef-e053-3705fe0ad821
|
1
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Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe2, file e3835197-1c65-72ef-e053-3705fe0ad821
|
1
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|
Phonon-Assisted Magnetic Mott-Insulating State in the Charge Density Wave Phase of Single-Layer 1T-NbSe2, file e3835197-323c-72ef-e053-3705fe0ad821
|
1
|
|
High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects, file e3835197-3d9a-72ef-e053-3705fe0ad821
|
1
|
|
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation, file e3835197-5d42-72ef-e053-3705fe0ad821
|
1
|
|
Flat electronic bands in long sequences of rhombohedral-stacked graphene, file e3835197-68b4-72ef-e053-3705fe0ad821
|
1
|
|
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations, file e3835198-ced5-72ef-e053-3705fe0ad821
|
1
|
|
Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenides, file e3835198-dd4e-72ef-e053-3705fe0ad821
|
1
|
|
First-principles determination of the Raman fingerprint of rhombohedral graphite, file e3835199-f7c9-72ef-e053-3705fe0ad821
|
1
|
| Totale |
2.916 |