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List of works by Stefano Sanvito

A simple descriptor for energetics at fcc-bcc metal interfaces

A spin of their own

scientific article published on 01 September 2009

A unified picture of the covalent bond within quantum-accurate force fields: From organic molecules to metallic complexes' reactivity.

scientific article published on 31 May 2019

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis

scientific article published on 09 October 2018

Ab InitioTransport Theory for Digital Ferromagnetic Heterostructures

scientific article published in Physical Review Letters

Ab initio calculations of structural evolution and conductance of benzene-1,4-dithiol on gold leads

scientific article published on 12 January 2011

Ab initio surface properties of Ag-Sn alloys: implications for lead-free soldering.

scientific article published on 24 January 2018

Accelerated discovery of new magnets in the Heusler alloy family.

scientific article

An efficient nonequilibrium Green's function formalism combined with density functional theory approach for calculating electron transport properties of molecular devices with quasi-one-dimensional electrodes

scientific article published in November 2007

Anomalous length dependence of the conductance of graphene nanoribbons with zigzag edges ⬇️

scientific article published on January 7, 2013

Assessment of density functional theory for iron(II) molecules across the spin-crossover transition.

scientific article published in September 2012

Atomistic simulations of highly conductive molecular transport junctions under realistic conditions

scientific article published on 03 April 2013

Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts

article

Charge Transport Properties of Durene Crystals from First-Principles

scientific article published in October 2014

Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations.

scientific article published on 23 August 2016

Charge carrier mobility in hybrid halide perovskites

scientific article published on 3 August 2015

Coexistance of Giant Tunneling Electroresistance and Magnetoresistance in an All-Oxide Composite Magnetic Tunnel Junction ⬇️

scientific article published on November 30, 2012

Comment on "theoretical description of carrier mediated magnetism in cobalt doped ZnO"

scientific article published on 17 April 2009

Computational modeling of a carbon nanotube-based DNA nanosensor

scientific article published on 08 October 2010

Conductance Oscillations in Zigzag Platinum Chains

scientific article published on 15 December 2005

Contact induced magnetism in carbon nanotubes

Controlling the Spin Texture of Topological Insulators by Rational Design of Organic Molecules

article

Cu-metalated carbyne acting as a promising molecular wire.

scientific article published on December 2016

Current-induced changes of migration energy barriers in graphene and carbon nanotubes.

scientific article published on 29 April 2016

Current-induced phonon renormalization in molecular junctions

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

Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6]2+

scientific article published on 23 August 2016

Dirac-cone induced gating enhancement in single-molecule field-effect transistors

scientific article published on 01 July 2019

Dynamic spin filtering at the Co/Alq3 interface mediated by weakly coupled second layer molecules.

scientific article published on 31 August 2016

Effect of molecular conformations on the electronic transport in oxygen-substituted alkanethiol molecular junctions

scientific article published on 01 May 2018

Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions

scientific article published on 01 May 2007

Effects of spin-orbit coupling on the conductance of molecules contacted with gold electrodes.

scientific article published on 28 July 2009

Effects of the covalent linker groups on the spin transport properties of single nickelocene molecules attached to single-walled carbon nanotubes

scientific article published on 01 May 2012

Effects of the molecule-electrode interface on the low-bias conductance of Cu-H2-Cu single-molecule junctions.

scientific article published in July 2016

Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport

scientific article published on 30 July 2007

Efficient conducting channels formed by the π-π stacking in single [2,2]paracyclophane molecules

scientific article published on 01 March 2012

Electric field control of valence tautomeric interconversion in cobalt dioxolene

scientific article published on 18 July 2011

Electric field effects on armchair MoS2 nanoribbons

scientific article published on 07 May 2012

Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes

Electronic and magnetic properties of the interface between metal-quinoline molecules and cobalt

scientific article published on 12 March 2014

Electronic properties of bulk and thin filmSrRuO3: Search for the metal-insulator transition

scholarly article in Physical Review B, vol. 78 no. 15, October 2008

Electronic structure of metal quinoline molecules fromG0W0calculations

scholarly article in Physical Review B, vol. 89 no. 24, June 2014

Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au.

scientific article published on 19 June 2009

Electronic transport properties of 1,1'-ferrocene dicarboxylic acid linked to Al(111) electrodes

scientific article published in December 2009

Electronic transport through EuO spin-filter tunnel junctions

scholarly article in Physical Review B, vol. 86 no. 20, November 2012

Electrostatic spin crossover effect in polar magnetic molecules

scientific article published on 30 August 2009

Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3-x Qx (M=Nb, Ta; Q=S, Se, Te).

scientific article published on 16 November 2017

Energy alignment induced negative differential resistance: the role of hybrid states in aromatic molecular devices.

scientific article

Erratum: "Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes" [J. Chem. Phys. 132, 054703 (2010)]

scientific article published on 01 May 2010

Erratum: From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport [Phys. Rev. B84, 205436 (2011)]

scholarly article published in Physical Review B

Evolution of Weyl orbit and quantum Hall effect in Dirac semimetal Cd3As2.

scientific article published on 2 November 2017

Exchange parameters from approximate self-interaction correction scheme

scientific article published on 01 July 2007

Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning

scientific article published on 19 December 2018

Femtosecond Spin Current Pulses Generated by the Nonthermal Spin-Dependent Seebeck Effect and Interacting with Ferromagnets in Spin Valves

scientific article published on 6 July 2017

Ferromagnetism driven by intrinsic point defects in HfO(2)

scientific article published on 02 June 2005

First Principles Study of Electron Tunneling through Ice

First principle investigation of transport properties of Lindqvist derivatives based molecular junction.

scientific article published on 12 June 2012

First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires

scientific article published on 01 February 2014

First-Principles Investigation of Spin-Phonon Coupling in Vanadium-Based Molecular Spin Quantum Bits

scientific article published on 25 July 2019

First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride

scientific article published on 11 May 2012

First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride.

scientific article published on 7 July 2017

First-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarization

scientific article published on 18 January 2019

First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

scientific article published on 01 April 2015

Fractional quantum conductance in carbon nanotubes

scientific article published in February 2000

From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport

scholarly article in Physical Review B, vol. 84 no. 20, November 2011

From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges

scientific article published on 03 October 2011

Ge-based spin-photodiodes for room-temperature integrated detection of photon helicity

scientific article published on 02 May 2012

Giant resistance change across the phase transition in spin-crossover molecules

scientific article published on 21 May 2012

How do phonons relax molecular spins?

scientific article published on 27 September 2019

Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response.

scientific article published on 27 February 2012

Inducing Strong Superconductivity in WTe2 by a Proximity Effect

scientific article published on 21 June 2018

Influence of Quantum Confinement on the Electronic and Magnetic Properties of (Ga,Mn)As Diluted Magnetic Semiconductor

article published in 2002

Influence of the dipolar interactions on the relative stability in spin crossover systems

scientific article published on 24 November 2016

International Conference "Trends in Spintronics and Nanomagnetism" (TSN-2010)

Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets.

scientific article published on 31 July 2017

Investigation of the conducting properties of a photoswitching dithienylethene molecule.

scientific article published in May 2010

I–V asymmetry and magnetoresistance in nickel nanoconstrictions

scholarly article by O Céspedes et al published May 2004 in Journal of Magnetism and Magnetic Materials

Lattice distortion effects on the magnetostructural phase transition of MnAs

scientific article published on 11 August 2005

Learn-and-Match Molecular Cations for Perovskites

scientific article published on 07 August 2019

Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics

scientific article published on 15 October 2015

Low-bias conductance of single benzene molecules contacted by direct Au-C and Pt-C bonds.

scientific article

Magnetic and electronic properties of D022-Mn3Ge (001) films

Magnetic semiconductors and half-metals

Magnetism and antiferroelectricity in MgB6

scientific article published on 08 March 2012

Magnetization of electrodeposited nickel: Role of interstitial carbon

scholarly article by C. O’Reilly et al published 15 April 2006 in Journal of Applied Physics

Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

scientific article published on 01 November 2014

Microscopic origin of the 1.3 G(0) conductance observed in oxygen-doped silver quantum point contacts

scientific article published on 01 November 2014

Mixed low-dimensional nanomaterial: 2D ultranarrow MoS2 inorganic nanoribbons encapsulated in quasi-1D carbon nanotubes

scientific article published on 01 October 2010

Molecular Kondo chain

scientific article published on 14 May 2012

Molecular conduction: do time-dependent simulations tell you more than the Landauer approach?

scientific article published on 01 June 2006

Molecular dynamics investigation of carbon nanotube junctions in non-aqueous solutions

Molecular spintronics.

scientific article published on 09 May 2011

Molecular-Spintronics: The Art of Driving Spin Through Molecules

Multiple spin-phonon relaxation pathways in a Kramer single-ion magnet

scientific article published on 01 November 2020

Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.

scientific article published on 25 September 2008

Observation of van der Waals Driven Self-Assembly of MoSI Nanowires into a Low-Symmetry Structure Using Aberration-Corrected Electron Microscopy

article published in 2007

Organic electronics: memoirs of a spin

scientific article published on 01 April 2007

Organic electronics: spintronics goes plastic

scientific article published on 01 November 2007

Organic spintronics: filtering spins with molecules

scientific article

Origin of the transition voltage in gold-vacuum-gold atomic junctions.

scientific article published on 13 December 2012

Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory ⬇️

scientific article published on January 17, 2012

Persistent current and Drude weight of one-dimensional interacting fermions on imperfect ring from current lattice density functional theory

scientific article published on 8 September 2016

Predicting Single-Layer Technetium Dichalcogenides (TcX₂, X = S, Se) with Promising Applications in Photovoltaics and Photocatalysis

scientific article

Quantitative Interpretation of the Low-Bias Conductance of Au-Mesitylene-Au Molecular Junctions Formed from Mesitylene Monolayers.

scientific article published on 26 April 2016

Quantitative interpretation of the transition voltages in gold-poly(phenylene) thiol-gold molecular junctions.

scientific article

Raman characterization of platinum diselenide thin films

Replacement and Original Magnet Engineering Options (ROMEOs): A European Seventh Framework Project to Develop Advanced Permanent Magnets Without, or with Reduced Use of, Critical Raw Materials

Resistive switching mechanism of GeTe-Sb2Te3 interfacial phase change memory and topological properties of embedded two-dimensional states

scientific article published on 28 June 2017

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3 ⬇️

scientific article

Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

scientific article published on 01 December 2015

Seeing the spin through

scientific article published in Nature

Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N

Self-interaction errors in density-functional calculations of electronic transport

scientific article published on 29 September 2005

Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations

scientific article published on 28 March 2019

Single-atom based coherent quantum interference device structure

scientific article published on 03 April 2015

Site-specific order and magnetism in tetragonal Mn3Ga thin films

scholarly article in Physical Review B, vol. 87 no. 18, May 2013

Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4 Tetrahedral Chains.

scientific article published on 5 February 2017

Solvent Exfoliation of Transition Metal Dichalcogenides: Dispersibility of Exfoliated Nanosheets Varies Only Weakly between Compounds

article

Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes.

scientific article

Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes

scientific article published on 19 March 2018

Spin scattering and spin-polarized hybrid interface states at a metal-organic interface

article

Spin transport properties of 3d transition metal(II) phthalocyanines in contact with single-walled carbon nanotube electrodes

scientific article published on 23 July 2010

Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms

scientific article published on 01 June 2011

Spin transport properties of triarylamine-based nanowires

scientific article published on 01 June 2014

Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide

scientific article published on 30 May 2017

Spin-Valve Effect in NiFe/MoS2/NiFe Junctions

scientific article published on 10 July 2015

Spin-dependent electronic structure of the Co/Al(OP)3interface

Spin-polarized transport through single-molecule magnet Mn6 complexes.

scientific article published on 19 April 2013

Spintronics: News from the organic arena

scientific article published on 01 November 2012

Stretching of BDT-gold molecular junctions: thiol or thiolate termination?

scientific article published in November 2014

Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N

Structural Origins of Conductance Fluctuations in Gold-Thiolate Molecular Transport Junctions

scientific article published on 6 March 2013

Substantial Band-Gap Tuning and a Strain-Controlled Semiconductor to Gapless/Band-Inverted Semimetal Transition in Rutile Lead/Stannic Dioxide

scientific article published on 22 September 2016

Switching a single spin on metal surfaces by a STM Tip: Ab Initio studies

scientific article published on 30 July 2009

Synthesis of centimeter-size free-standing perovskite nanosheets from single-crystal lead bromide for optoelectronic devices

scientific article published on 13 August 2019

Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study.

scientific article published on 14 June 2013

The 2020 magnetism roadmap

The high-throughput highway to computational materials design.

scientific article published on March 2013

The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach.

scientific article published on 3 November 2015

The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes.

scientific article published in August 2017

The rise of spinterface science

The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets.

scientific article

The search for a spin crossover transition in small sized π-conjugated molecules: a Monte Carlo study.

scientific article published on 14 July 2011

The spin filter effect of iron-cyclopentadienyl multidecker clusters: the role of the electrode band structure and the coupling strength.

scientific article

Theoretical Evaluation of [VIV(α-C3S5)3]2- as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor.

scientific article published on 16 June 2017

Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach

scientific article published on 04 February 2013

Topological tuning in three-dimensional dirac semimetals. ⬇️

scientific article

Towards molecular spintronics

scientific article published on 01 April 2005

Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

scientific article published on 01 July 2014

Ultrafast Non-local Spin Dynamics in Metallic Bi-Layers by Linear and Non-linear Magneto-Optics

Ultrahigh conductivity in Weyl semimetal NbAs nanobelts

scientific article published on 18 March 2019

Unusual stacking variations in liquid-phase exfoliated transition metal dichalcogenides

scientific article published on 05 March 2014

Vertical Single-Crystalline Organic Nanowires on Graphene: Solution-Phase Epitaxy and Optical Microcavities.

scientific article published on 20 July 2016

Vibron-assisted spin relaxation at a metal/organic interface

scholarly article in Physical Review B, vol. 91 no. 22, June 2015

Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe5

scientific article published on 12 August 2016

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