List of works - Feliciano Giustino

Ab initioSternheimer-GW method for quasiparticle calculations using plane waves

scholarly article in Physical Review B, vol. 88 no. 7, August 2013

Abrupt model interface for the 4H(1000)SiC-SiO2 interface

Advanced capabilities for materials modelling with Quantum ESPRESSO.

scientific article

Angle-resolved photoemission spectra of graphene from first-principles calculations.

scientific article published in December 2009

Anisotropic Migdal-Eliashberg theory using Wannier functions

scholarly article in Physical Review B, vol. 87 no. 2, January 2013

Atomic-Scale Observation of Multiconformational Binding and Energy Level Alignment of Ruthenium-Based Photosensitizers on TiO2 Anatase

scientific article published on 28 January 2014

Atomistic model of the 4H(0001)SiC-SiO2 interface: structural and electronic properties

article published in 2007

Atomistic models of the Si(100)–SiO2interface: structural, electronic and dielectric properties

Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment

scientific article

Band Offsets at theSi/SiO2Interface from Many-Body Perturbation Theory

scientific article published in Physical Review Letters

Band Structures of Plasmonic Polarons ⬇️

scientific article published in Physical Review Letters

Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process.

scientific article

CaBaCo4O7: A ferrimagnetic pyroelectric ⬇️

scholarly article in Physical Review B, vol. 90 no. 4, July 2014

Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2

scientific article published on 09 July 2019

Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites

article

Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap.

scientific article

Dielectric effect of a thin SiO2 interlayer at the interface between silicon and high-k oxides

Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets

scholarly article in Physical Review B, vol. 85 no. 24, June 2012

Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe

scientific article published on 12 February 2019

Dislocation-Driven Deformations in Graphene

scientific article published in Science

Dose and dose-rate effects on NPN bipolar junction transistors irradiated at high temperature

article

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions ⬇️

scholarly article by Samuel Poncé et al published December 2016 in Computer Physics Communications

Electron-Phonon Interaction via Electronic and Lattice Wannier Functions: Superconductivity in Boron-Doped Diamond Reexamined

scientific article published in Physical Review Letters

Electron-Phonon Renormalization of the Direct Band Gap of Diamond

scientific article published in Physical Review Letters

Electron-phonon coupling in hybrid lead halide perovskites.

scientific article

Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

scientific article published on 19 February 2016

Electron-phonon interaction using Wannier functions

scholarly article in Physical Review B, vol. 76 no. 16, October 2007

Electron-phonon interactions in graphene, bilayer graphene, and graphite

scientific article

Electronic Structure at Realistic Si(100)-SiO2Interfaces

Electronic and dielectric properties of a suboxide interlayer at the silicon–oxide interface in MOS devices

Electron−Phonon Interactions in Graphene, Bilayer Graphene, and Graphite

Energy-level alignment and open-circuit voltage at graphene/polymer interfaces: theory and experiment

Equivalent oxide thickness of a thin oxide interlayer in gate insulator stacks on silicon

Erratum: First-Principles Study of Electron Linewidths in Graphene [Phys. Rev. Lett.102, 076803 (2009)]

scientific article published in Physical Review Letters

Excitons in one-dimensional van der Waals materials:Sb2S3nanoribbons

scholarly article in Physical Review B, vol. 92 no. 12, September 2015

Ferroelectric Graphene-Perovskite Interfaces.

scientific article published on 17 June 2015

First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor

scientific article published in Physical Review Letters

First-Principles Study of Electron Linewidths in Graphene

scientific article published in Physical Review Letters

First-principles investigation of hyperfine interactions for nuclear spin entanglement in photoexcited fullerenes

scholarly article in Physical Review B, vol. 85 no. 11, March 2012

First-principles study of multiferroicRbFe(MoO4)2 ⬇️

scholarly article in Physical Review B, vol. 90 no. 2, July 2014

First-principles study of structurally modulated multiferroicCaMn7O12 ⬇️

scholarly article in Physical Review B, vol. 91 no. 6, February 2015

First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

scholarly article by Jesse Noffsinger et al published 20 May 2008 in Physical Review B

First-principles theory of infrared absorption spectra at surfaces and interfaces: Application to theSi(100):H2Osurface

scholarly article in Physical Review B, vol. 78 no. 7, August 2008

Fröhlich Electron-Phonon Vertex from First Principles ⬇️

scientific article published on 21 October 2015

GW Band Structures and Carrier Effective Masses of CH3NH3PbI3 and Hypothetical Perovskites of the Type APbI3: A = NH4, PH4, AsH4, and SbH4

GW method with the self-consistent Sternheimer equation

scholarly article in Physical Review B, vol. 81 no. 11, March 2010

GW quasiparticle bandgaps of anatase TiO2starting from DFT +U ⬇️

scientific article published on April 18, 2012

GWquasiparticle band gap of the hybrid organic-inorganic perovskiteCH3NH3PbI3: Effect of spin-orbit interaction, semicore electrons, and self-consistency ⬇️

article

GWquasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite

scholarly article in Physical Review B, vol. 87 no. 20, May 2013

Graphene-based technologies for energy applications, challenges and perspectives

article by Etienne Quesnel et al published 6 August 2015 in 2D Materials

Ideal Energy-Level Alignment at the ZnO/P3HT Photovoltaic Interface

Inelastic carrier lifetime in bilayer graphene

Infrared Spectra at Surfaces and Interfaces from First Principles: Evolution of the Spectra across theSi(100)−SiO2Interface

scientific article published in Physical Review Letters

Infrared properties of ultrathin oxides on Si(100)

Intrinsic quantum confinement in formamidinium lead triiodide perovskite

scientific article published on 24 August 2020

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

scientific article

Linear optical response of finite systems using multishift linear system solvers

scientific article published on 01 July 2014

Manipulating surface magnetic order in iron telluride

scientific article published in March 2019

Mixed Wannier-Bloch functions for electrons and phonons in periodic systems

scientific article published in June 2006

Model for high-temperature radiation effects in n-p-n bipolar-junction transistors

article

Modeling of Si 2p core-level shifts at Si–(ZrO2)x(SiO2)1−x interfaces

Modeling the role of the fluorine dopant in the magnetic phase diagram of LaFeAsO1−xFxsuperconductors

scholarly article in Physical Review B, vol. 85 no. 17, May 2012

Modelling graphene quantum dot functionalization via ethylene-dinitrobenzoyl

O1score-level shifts at the anatase TiO2(101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

scholarly article in Physical Review B, vol. 84 no. 8, August 2011

On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands ⬇️

scholarly article in Physical Review B, vol. 94 no. 3, July 2016

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization ⬇️

scholarly article in Physical Review B, vol. 94 no. 7, August 2016

Origin of superconductivity in boron-doped silicon carbide from first principles

scholarly article by Jesse Noffsinger et al published 16 March 2009 in Physical Review B

Oxide Analogs of Halide Perovskites and the New Semiconductor Ba2AgIO6

scientific article published on 28 March 2019

Perovskite-perovskite tandem photovoltaics with optimized band gaps.

scientific article

Proton-Induced Fixed Positive Charge at theSi(100)−SiO2Interface

scientific article published in Physical Review Letters

Publisher’s Note: First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor [Phys. Rev. Lett.105, 037002 (2010)]

scientific article published in Physical Review Letters

Publisher’s Note: Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping [Phys. Rev. Lett.102, 147003 (2009)]

scientific article published in Physical Review Letters

Quantitative Analysis of Valence Photoemission Spectra and Quasiparticle Excitations at Chromophore-Semiconductor Interfaces ⬇️

scientific article published in Physical Review Letters

Quantum nuclear dynamics in the photophysics of diamondoids

scientific article published in Nature Communications

Raman Spectrum of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from First Principles and High-Resolution Low-Temperature Raman Measurements

Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping

scientific article published in Physical Review Letters

Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6.

scientific article published on 26 July 2017

Ruddlesden-Popper-Phase Hybrid Halide Perovskite/Small-Molecule Organic Blend Memory Transistors

scientific article published on 31 December 2020

Slot-Die-Printed Two-Dimensional ZrS3 Charge Transport Layer for Perovskite Light-Emitting Diodes

scientific article published on 13 December 2019

Small phonon contribution to the photoemission kink in the copper oxide superconductors

scientific article published in April 2008

Solution-Processed Cesium Hexabromopalladate(IV), Cs2PdBr6, for Optoelectronic Applications.

scientific article published on 20 April 2017

Spectral fingerprints of electron-plasmon coupling ⬇️

scholarly article in Physical Review B, vol. 92 no. 4, July 2015

Steric engineering of metal-halide perovskites with tunable optical band gaps. ⬇️

scientific article published on 15 December 2014

Stochastic Approach to Phonon-Assisted Optical Absorption ⬇️

scientific article published in Physical Review Letters

Strong Carrier Lifetime Enhancement in GaAs Nanowires Coated with Semiconducting Polymer

scientific article published on 29 November 2012

Structural and Electronic Properties of Semiconductor-Sensitized Solar-Cell Interfaces

Structural and electronic properties of an abrupt4H−SiC(0001)∕SiO2interface model: Classical molecular dynamics simulations and density functional calculations

scholarly article in Physical Review B, vol. 76 no. 7, August 2007

Structure of a Water Monolayer on the AnataseTiO2(101)Surface ⬇️

The GW plus cumulant method and plasmonic polarons: application to the homogeneous electron gas* ⬇️

article published in 2016

The geometric blueprint of perovskites

scientific article published on 07 May 2018

Theory of Electromagnons in CuO.

scientific article published on 11 May 2015

Theory of atomic-scale dielectric permittivity at insulator interfaces

scholarly article in Physical Review B, vol. 71 no. 14, April 2005

Theory of electron-plasmon coupling in semiconductors ⬇️

scholarly article in Physical Review B, vol. 94 no. 11, September 2016

TiO2 anatase with a bandgap in the visible region

scientific article published on 2 October 2014

Time-dependent density functional theory using atomic orbitals and the self-consistent Sternheimer equation

scholarly article in Physical Review B, vol. 89 no. 8, February 2014

Two-gap superconductivity in heavilyn-doped graphene:Ab initioMigdal-Eliashberg theory ⬇️

scholarly article by E. R. Margine & Feliciano Giustino published 29 July 2014 in Physical Review B

Ultrafast entangling gates between nuclear spins using photoexcited triplet states

Unified theory of electron-phonon renormalization and phonon-assisted optical absorption. ⬇️

scientific article published on 19 August 2014

Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene

scholarly article in Physical Review B, vol. 77 no. 11, March 2008

Velocity Renormalization and Carrier Lifetime in Graphene from the Electron-Phonon Interaction

scientific article published in Physical Review Letters

Vibrational Properties of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from Theory and Experiment: Factor Group Analysis, First-Principles Calculations, and Low-Temperature Infrared Spectra

List of works by Feliciano Giustino

Ab initioSternheimer-GW method for quasiparticle calculations using plane waves

Abrupt model interface for the 4H(1000)SiC-SiO2 interface

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Angle-resolved photoemission spectra of graphene from first-principles calculations.

Anisotropic Migdal-Eliashberg theory using Wannier functions

Atomic-Scale Observation of Multiconformational Binding and Energy Level Alignment of Ruthenium-Based Photosensitizers on TiO2 Anatase

Atomistic model of the 4H(0001)SiC-SiO2 interface: structural and electronic properties

Atomistic models of the Si(100)–SiO2interface: structural, electronic and dielectric properties

Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment

Band Offsets at theSi/SiO2Interface from Many-Body Perturbation Theory

Band Structures of Plasmonic Polarons ⬇️

Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process.

CaBaCo4O7: A ferrimagnetic pyroelectric ⬇️

Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2

Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites

Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap.

Dielectric effect of a thin SiO2 interlayer at the interface between silicon and high-k oxides

Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets

Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe

Dislocation-Driven Deformations in Graphene

Dose and dose-rate effects on NPN bipolar junction transistors irradiated at high temperature

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions ⬇️

Electron-Phonon Interaction via Electronic and Lattice Wannier Functions: Superconductivity in Boron-Doped Diamond Reexamined

Electron-Phonon Renormalization of the Direct Band Gap of Diamond

Electron-phonon coupling in hybrid lead halide perovskites.

Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

Electron-phonon interaction using Wannier functions

Electron-phonon interactions in graphene, bilayer graphene, and graphite

Electronic Structure at Realistic Si(100)-SiO2Interfaces

Electronic and dielectric properties of a suboxide interlayer at the silicon–oxide interface in MOS devices

Electron−Phonon Interactions in Graphene, Bilayer Graphene, and Graphite

Energy-level alignment and open-circuit voltage at graphene/polymer interfaces: theory and experiment

Equivalent oxide thickness of a thin oxide interlayer in gate insulator stacks on silicon

Erratum: First-Principles Study of Electron Linewidths in Graphene [Phys. Rev. Lett.102, 076803 (2009)]

Excitons in one-dimensional van der Waals materials:Sb2S3nanoribbons

Ferroelectric Graphene-Perovskite Interfaces.

First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor

First-Principles Study of Electron Linewidths in Graphene

First-principles investigation of hyperfine interactions for nuclear spin entanglement in photoexcited fullerenes

First-principles study of multiferroicRbFe(MoO4)2 ⬇️

First-principles study of structurally modulated multiferroicCaMn7O12 ⬇️

First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

First-principles theory of infrared absorption spectra at surfaces and interfaces: Application to theSi(100):H2Osurface

Fröhlich Electron-Phonon Vertex from First Principles ⬇️

GW Band Structures and Carrier Effective Masses of CH3NH3PbI3 and Hypothetical Perovskites of the Type APbI3: A = NH4, PH4, AsH4, and SbH4

GW method with the self-consistent Sternheimer equation

GW quasiparticle bandgaps of anatase TiO2starting from DFT +U ⬇️

GWquasiparticle band gap of the hybrid organic-inorganic perovskiteCH3NH3PbI3: Effect of spin-orbit interaction, semicore electrons, and self-consistency ⬇️

GWquasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite

Graphene-based technologies for energy applications, challenges and perspectives

Ideal Energy-Level Alignment at the ZnO/P3HT Photovoltaic Interface

Inelastic carrier lifetime in bilayer graphene

Infrared Spectra at Surfaces and Interfaces from First Principles: Evolution of the Spectra across theSi(100)−SiO2Interface

Infrared properties of ultrathin oxides on Si(100)

Intrinsic quantum confinement in formamidinium lead triiodide perovskite

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

Linear optical response of finite systems using multishift linear system solvers

Manipulating surface magnetic order in iron telluride

Mixed Wannier-Bloch functions for electrons and phonons in periodic systems

Model for high-temperature radiation effects in n-p-n bipolar-junction transistors

Modeling of Si 2p core-level shifts at Si–(ZrO2)x(SiO2)1−x interfaces

Modeling the role of the fluorine dopant in the magnetic phase diagram of LaFeAsO1−xFxsuperconductors

Modelling graphene quantum dot functionalization via ethylene-dinitrobenzoyl

O1score-level shifts at the anatase TiO2(101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands ⬇️

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization ⬇️

Origin of superconductivity in boron-doped silicon carbide from first principles

Oxide Analogs of Halide Perovskites and the New Semiconductor Ba2AgIO6

Perovskite-perovskite tandem photovoltaics with optimized band gaps.

Proton-Induced Fixed Positive Charge at theSi(100)−SiO2Interface

Publisher’s Note: First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor [Phys. Rev. Lett.105, 037002 (2010)]

Publisher’s Note: Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping [Phys. Rev. Lett.102, 147003 (2009)]

Quantitative Analysis of Valence Photoemission Spectra and Quasiparticle Excitations at Chromophore-Semiconductor Interfaces ⬇️

Quantum nuclear dynamics in the photophysics of diamondoids

Raman Spectrum of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from First Principles and High-Resolution Low-Temperature Raman Measurements

Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping

Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6.