Stefano Sanvito

Q: What Schools Are Affiliated With Stefano Sanvito

Stefano Sanvito is affiliated with the following schools: University of Trieste, Trinity College Dublin, Duke University, Tokyo Gakugei University

Stefano Sanvito's AcademicInfluence.com Rankings

Stefano Sanvito

Physics

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#6731

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Physics

Stefano Sanvito's Degrees

PhD Physics University of Trieste
Masters Physics University of Trieste
Bachelors Physics University of Trieste

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Stefano Sanvito'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

The high-throughput highway to computational materials design. (2013) (1375)
Towards molecular spintronics (2005) (956)
Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics (2015) (841)
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) (706)
Solvent exfoliation of transition metal dichalcogenides: dispersibility of exfoliated nanosheets varies only weakly between compounds. (2012) (589)
Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3 (2014) (518)
Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response. (2012) (502)
Spin and molecular electronics in atomically generated orbital landscapes (2006) (483)
Molecular spintronics. (2019) (423)
Ferromagnetism driven by intrinsic point defects in HfO(2). (2005) (351)
Possible doping strategies for MoS 2 monolayers: An ab initio study (2013) (320)
Molecular spintronics: The rise of spinterface science (2010) (316)
Charge carrier mobility in hybrid halide perovskites (2014) (265)
Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts. (2015) (253)
The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets (2017) (244)
Self-interaction errors in density-functional calculations of electronic transport. (2005) (231)
First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride. (2012) (228)
Origin of the n-type and p-type conductivity of MoS2 monolayers on a SiO2 substrate (2013) (223)
First-principles study of the origin and nature of ferromagnetism in Ga 1-x Mn x As (2000) (220)
General Green’s-function formalism for transport calculations with spd Hamiltonians and giant magnetoresistance in Co- and Ni-based magnetic multilayers (1998) (215)
Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition (2008) (205)
First-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarization. (2019) (200)
Ground state of half-metallic zinc-blende MnAs (2000) (193)
Mixed low-dimensional nanomaterial: 2D ultranarrow MoS2 inorganic nanoribbons encapsulated in quasi-1D carbon nanotubes. (2010) (191)
Accelerated discovery of new magnets in the Heusler alloy family (2017) (178)
Electric field effects on armchair MoS2 nanoribbons. (2012) (166)
Quantum Hall effect based on Weyl orbits in Cd3As2 (2018) (164)
Molecular-Spintronics: The Art of Driving Spin Through Molecules (2006) (158)
Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe5 (2016) (157)
Raman characterization of platinum diselenide thin films (2015) (149)
Magnetic semiconductors and half-metals (2004) (136)
Impurity-Ion pair induced high-temperature ferromagnetism in Co-doped ZnO (2008) (136)
A spin of their own. (2009) (132)
Electrostatic spin crossover effect in polar magnetic molecules. (2009) (130)
Evolution of Weyl orbit and quantum Hall effect in Dirac semimetal Cd3As2 (2016) (117)
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport. (2006) (110)
The 2020 magnetism roadmap (2020) (108)
Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires. (2008) (108)
Spin-Valve Effect in NiFe/MoS2/NiFe Junctions. (2015) (108)
Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids (2007) (105)
Ab-initio study on the possible doping strategies for MoS$_2$ monolayers (2013) (103)
Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions (2007) (99)
Molecular Kondo chain. (2012) (96)
Electronic properties of bulk and thin film SrRuO 3 : Search for the metal-insulator transition (2008) (96)
Predicting d 0 magnetism: Self-interaction correction scheme (2008) (96)
Predicting Single-Layer Technetium Dichalcogenides (TcX₂, X = S, Se) with Promising Applications in Photovoltaics and Photocatalysis. (2016) (93)
Giant resistance change across the phase transition in spin-crossover molecules. (2012) (92)
Ab initio calculations of structural evolution and conductance of benzene-1,4-dithiol on gold leads. (2011) (91)
Different origins of the ferromagnetic order in (Ga,Mn)As and (Ga,Mn) N (2004) (90)
Organic electronics: spintronics goes plastic. (2007) (86)
Assessment of density functional theory for iron(II) molecules across the spin-crossover transition. (2012) (82)
Conductance oscillations in zigzag platinum chains. (2005) (82)
Contact induced magnetism in carbon nanotubes (2004) (82)
Density Functional Calculations for III–V Diluted Ferromagnetic Semiconductors: A Review (2001) (82)
Influence of Quantum Confinement on the Electronic and Magnetic Properties of (Ga,Mn)As Diluted Magnetic Semiconductor (2001) (80)
Magnetic and electronic properties of D022-Mn3Ge (001) films (2012) (74)
Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons (2009) (74)
Functionalized nanopore-embedded electrodes for rapid DNA sequencing (2007) (73)
Efficient spin injection and giant magnetoresistance in Fe / MoS 2 / Fe junctions (2014) (71)
Site-specific order and magnetism in tetragonal Mn3Ga thin films (2013) (71)
Injecting and controlling spins in organic materials (2007) (68)
Gate-tunable quantum oscillations in ambipolar Cd3As2 thin films (2014) (68)
Molecular conduction: do time-dependent simulations tell you more than the Landauer approach? (2006) (66)
Electron doping and magnetic moment formation in N- and C-doped MgO (2009) (66)
Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules (2011) (64)
Femtosecond Spin Current Pulses Generated by the Nonthermal Spin-Dependent Seebeck Effect and Interacting with Ferromagnets in Spin Valves. (2016) (63)
First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride. (2017) (63)
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) (60)
Spin-filtering efficiency of ferrimagnetic spinels CoFe2O4 and NiFe2O4 (2013) (59)
Electric field control of valence tautomeric interconversion in cobalt dioxolene. (2011) (59)
Spin transport properties of 3d transition metal(II) phthalocyanines in contact with single-walled carbon nanotube electrodes. (2010) (58)
Ultrahigh conductivity in Weyl semimetal NbAs nanobelts (2019) (57)
Polaronic distortion and vacancy-induced magnetism in MgO (2009) (56)
Materials informatics (2019) (54)
Influence of the local As antisite distribution on ferromagnetism in (Ga, Mn)As (2001) (53)
Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes. (2010) (53)
Organic spintronics: filtering spins with molecules. (2011) (52)
Observation of quasi-two-dimensional Dirac fermions in ZrTe5 (2015) (52)
Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide. (2017) (51)
Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods (2011) (50)
On-site approximation for spin–orbit coupling in linear combination of atomic orbitals density functional methods (2007) (49)
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces (2013) (49)
How do phonons relax molecular spins? (2019) (49)
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. (2007) (46)
Ab initio calculation of the biasdependent transport properties of Mn12 molecules (2009) (46)
Nucleobase adsorbed at graphene devices: Enhance bio-sensorics (2012) (45)
Topological tuning in three-dimensional dirac semimetals. (2014) (42)
First-Principles Investigation of Spin-Phonon Coupling in Vanadium-Based Molecular Spin Quantum Bits. (2019) (42)
Dynamic spin filtering at the Co/Alq3 interface mediated by weakly coupled second layer molecules (2016) (42)
Unusual stacking variations in liquid-phase exfoliated transition metal dichalcogenides. (2014) (41)
Switching a single spin on metal surfaces by a STM Tip: Ab Initio studies. (2009) (41)
Polarizability of molecular chains: A self-interaction correction approach (2008) (40)
Ab initio study of the magnetostructural properties of MnAs (2006) (40)
Ge‐Based Spin‐Photodiodes for Room‐Temperature Integrated Detection of Photon Helicity (2012) (40)
Dimensionality-driven phonon softening and incipient charge density wave instability in TiS2 (2016) (39)
Inducing Strong Superconductivity in WTe2 by a Proximity Effect. (2018) (38)
Investigation of the conducting properties of a photoswitching dithienylethene molecule. (2010) (38)
Unveiling phonons in a molecular qubit with four-dimensional inelastic neutron scattering and density functional theory (2020) (38)
Resonant electronic states and I-V curves of Fe/MgO/Fe(100) tunnel junctions (2008) (38)
Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes (2015) (38)
Asymmetric I-V characteristics and magnetoresistance in magnetic point contacts (2004) (37)
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 (2015) (37)
Observation of van der Waals Driven Self‐Assembly of MoSI Nanowires into a Low‐Symmetry Structure Using Aberration‐Corrected Electron Microscopy (2007) (37)
First-principles study of high-conductance DNA sequencing with carbon nanotube electrodes (2011) (36)
Ab initio transport theory for digital ferromagnetic heterostructures. (2001) (36)
On-site approximation for spin–orbit coupling in linear combination of atomic orbitals density functional methods (2006) (36)
Spin scattering and spin-polarized hybrid interface states at a metal-organic interface (2011) (36)
Predicting the Curie temperature of ferromagnets using machine learning (2019) (35)
Organic electronics: memoirs of a spin. (2007) (35)
Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes (2004) (34)
Atomistic simulations of highly conductive molecular transport junctions under realistic conditions. (2013) (34)
Structural Origins of Conductance Fluctuations in Gold-Thiolate Molecular Transport Junctions. (2013) (34)
Finite-bias electronic transport of molecules in a water solution (2010) (34)
Electronic transport properties of 1,1'-ferrocene dicarboxylic acid linked to Al(111) electrodes. (2009) (34)
From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges (2011) (33)
Exploring the cation dynamics in lead-bromide hybrid perovskites (2016) (33)
Efficient ab initio method for inelastic transport in nanoscale devices: Analysis of inelastic electron tunneling spectroscopy (2008) (33)
Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-Filter Efficiency (2010) (32)
The spin filter effect of iron-cyclopentadienyl multidecker clusters: the role of the electrode band structure and the coupling strength (2009) (32)
Effects of edge chemistry doping on graphene nanoribbon mobility (2010) (31)
Controlling the Spin Texture of Topological Insulators by Rational Design of Organic Molecules. (2015) (31)
Stretching of BDT-gold molecular junctions: thiol or thiolate termination? (2014) (30)
The Limit of Spin Lifetime in Solid-State Electronic Spins. (2020) (30)
Resistive switching mechanism of GeTe-Sb2Te3 interfacial phase change memory and topological properties of embedded two-dimensional states. (2017) (29)
Electronic and magnetic properties of the interface between metal-quinoline molecules and cobalt (2014) (29)
Improving stability of organometallic-halide perovskite solar cells using exfoliation two-dimensional molybdenum chalcogenides (2020) (28)
Tuning the magneto-transport properties of nickel-cyclopentadienyl multidecker clusters by molecule-electrode coupling manipulation. (2010) (28)
Designing a fully compensated half-metallic ferrimagnet (2015) (28)
Machine Learning Accelerated Recovery of the Cubic Structure in Mixed-Cation Perovskite Thin Films (2020) (28)
Exceptionally strong magnetism in the 4d perovskites RTcO(3) (R = Ca, Sr, Ba) (2011) (28)
Magnetism of CoO polymorphs: Density functional theory and Monte Carlo simulations (2008) (27)
Multiscale modeling of current-induced switching in magnetic tunnel junctions using ab initio spin-transfer torques (2017) (27)
Self-interaction effects in (Ga, Mn)As and (Ga, Mn)N (2003) (27)
Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands (2010) (26)
Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning. (2019) (26)
MgN: A possible material for spintronic applications (2009) (26)
Multiple spin-phonon relaxation pathways in a Kramer single-ion magnet. (2020) (25)
Machine learning density functional theory for the Hubbard model (2018) (25)
The AFLOW Fleet for Materials Discovery (2017) (25)
Magnetic properties of ZrO2-diluted magnetic semiconductors (2007) (24)
Electron–Phonon Coupling and Polaron Mobility in Hybrid Perovskites from First Principles (2018) (24)
Efficient conducting channels formed by the π-π stacking in single [2,2]paracyclophane molecules. (2012) (24)
Spin transport in higher n-acene molecules (2011) (23)
Learn and Match Molecular Cations for Perovskites. (2019) (23)
Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6](2.). (2016) (23)
First-principles calculation on the zero-bias conductance of a gold/1,4-diaminobenzene/gold molecular junction (2007) (22)
Many-body quasiparticle spectrum of Co-doped ZnO: A GW perspective (2013) (22)
A unified picture of the covalent bond within quantum-accurate force fields: From organic molecules to metallic complexes’ reactivity (2019) (22)
Conceptual molecular quantum phase transistor based on first-principles quantum transport calculations (2008) (22)
Edge superconductivity in multilayer WTe2 Josephson junction (2020) (22)
Vertical Single-Crystalline Organic Nanowires on Graphene: Solution-Phase Epitaxy and Optical Microcavities. (2016) (22)
Coexistance of giant tunneling electroresistance and magnetoresistance in an all-oxide composite magnetic tunnel junction. (2012) (22)
Ab initio theory for current-induced molecular switching: Melamine on Cu(001) (2013) (22)
Current-induced energy barrier suppression for electromigration from first principles (2011) (21)
Low-bias conductance of single benzene molecules contacted by direct Au–C and Pt–C bonds (2010) (21)
Origin of the p-Type Character of AuCl3 Functionalized Carbon Nanotubes (2014) (20)
Simulating STM transport in alkanes from first principles (2009) (20)
Prediction of large bias-dependent magnetoresistance in all-oxide magnetic tunnel junctions with a ferroelectric barrier (2010) (19)
Contact-induced spin polarization in carbon nanotubes (2003) (19)
Exploring the limits of the self consistent Born approximation for inelastic electronic transport (2008) (19)
Resonant magnetoresistance in organic spin valves (invited) (2007) (19)
Prediction of room-temperature ferromagnetism and large perpendicular magnetic anisotropy in a planar hypercoordinate FeB3 monolayer. (2020) (18)
Origin of the transition voltage in gold–vacuum–gold atomic junctions (2013) (18)
First-principles spin-transfer torque in CuMnAs | GaP | CuMnAs junctions (2016) (18)
Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials (2018) (18)
Surfing Multiple Conformation-Property Landscapes via Machine Learning: Designing Single-Ion Magnetic Anisotropy (2020) (18)
Lattice distortion effects on the magnetostructural phase transition of MnAs. (2005) (18)
Perturbative approach to the Kondo effect in magnetic atoms on nonmagnetic substrates (2011) (18)
Current-driven magnetic rearrangements in spin-polarized point contacts (2005) (18)
Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes (2018) (17)
Proximity-induced topological state in graphene (2014) (17)
Anomalous I–V curve for mono-atomic carbon chains (2010) (17)
Ferromagnetism and metallic state in digital (Ga, Mn)As heterostructures (2003) (17)
Substantial Band-Gap Tuning and a Strain-Controlled Semiconductor to Gapless/Band-Inverted Semimetal Transition in Rutile Lead/Stannic Dioxide. (2016) (17)
Newtonian origin of the spin motive force in ferromagnetic atomic wires (2007) (17)
The magnetism of carbon (2004) (17)
Role of spin-orbit interaction in the ultrafast demagnetization of small iron clusters (2015) (17)
Electronic Transport Through EuO Spin Filter Tunnel Junctions (2012) (17)
Search for magnetoresistance in excess of 1000% in Ni point contacts : Density functional calculations (2007) (17)
Electric field response of strongly correlated one-dimensional metals: A Bethe ansatz density functional theory study (2010) (17)
Controlled sequential dehydrogenation of single molecules by scanning tunneling microscopy (2010) (17)
An in situ and ex situ TEM study into the oxidation of titanium (IV) sulphide (2017) (17)
Spin-polarized transport through single-molecule magnet Mn6 complexes. (2013) (17)
Spin-dependent electronic structure of the Co/Al(OP)3 interface (2013) (17)
Electric-controlled half-metallicity in magnetic van der Waals heterobilayer (2020) (16)
Importance of structural deformation features in the prediction of hybrid perovskite bandgaps (2020) (16)
Nonequilibrium Green's function study of Pd4-cluster-functionalized carbon nanotubes as hydrogen sensors (2009) (16)
High transmission in ruthenium-benzene-ruthenium molecular junctions (2008) (16)
I-V curves of Fe/MgO (001) single- and double-barrier tunnel junctions. (2008) (16)
Topological surface states scattering in antimony (2012) (15)
Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms. (2011) (15)
Magnetism of wurtzite CoO nanoclusters (2009) (15)
Ab-initio methods for spin-transport at the nanoscale level (2005) (15)
Spin transport properties of triarylamine-based nanowires. (2014) (15)
Computational modeling of a carbon nanotube-based DNA nanosensor (2010) (15)
Ab initio transport across bismuth selenide surface barriers. (2014) (14)
Spin-flip inelastic electron tunneling spectroscopy in atomic chains (2011) (14)
Bias-dependent oscillatory electron transport of monatomic sulfur chains (2012) (14)
Ground state of a spin-crossover molecule calculated by diffusion Monte Carlo (2012) (14)
Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules (2020) (14)
Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3-x Qx (M=Nb, Ta; Q=S, Se, Te). (2018) (13)
Suppression of giant magnetoresistance by a superconducting contact (1999) (13)
Energy alignment induced negative differential resistance: the role of hybrid states in aromatic molecular devices. (2008) (13)
Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations. (2019) (13)
Ultrafast demagnetizing fields from first principles (2017) (13)
Charge Transport Properties of Durene Crystals from First-Principles. (2014) (13)
Investigation of n-type donor defects in Co-doped ZnO (2007) (12)
Interface and transport properties of Fe/V/MgO/Fe and Fe/V/Fe/MgO/Fe magnetic tunneling junctions (2009) (12)
Quantum conductance of a single magnetic atom: An ab initio study (2010) (12)
Andreev reflection in two-dimensional topological insulators with either conserved or broken time-reversal symmetry (2012) (12)
First Principles Study of Electron Tunneling through Ice (2012) (11)
Quantum transport of Au-S-S-Au nanoscale junctions (2012) (11)
Magnetism and antiferroelectricity in MgB6. (2012) (11)
First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires. (2014) (11)
Evidence for pressure-induced node-pair annihilation in C d 3 A s 2 (2016) (11)
Breakdown of the resistor model of CPP-GMR in magnetic multilayered nanostructures (1999) (11)
Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N (2005) (11)
Oxygen defect origin of ferromagnetism in ZnCoO (2010) (10)
Invited paper First principles study of intrinsic defects in (Ga,Mn)As (2002) (10)
Conductance oscillations in zigzag platinum chains - suppression of parity effects (2005) (10)
Origin of the half-metallic properties of graphitic carbon nitride in bulk and confined forms (2013) (10)
Charge transfer energies of benzene physisorbed on a graphene sheet from constrained density functional theory (2015) (10)
I–V asymmetry and magnetoresistance in nickel nanoconstrictions (2004) (10)
Electronic transport through Fe/MgO/Fe(100) tunnel junctions (2007) (10)
Selection of single-walled carbon nanotubes according to both their diameter and chirality via nanotweezers (2010) (10)
Electronic transport across S 9 sulfur clusters (2010) (10)
Pushing the limits of atomistic simulations towards ultra-high temperature: A machine-learning force field for ZrB2 (2019) (10)
A simple descriptor for energetics at fcc-bcc metal interfaces (2018) (10)
Theoretical Evaluation of [VIV(α-C3S5)3]2- as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor. (2016) (10)
Ab initio dynamical exchange interactions in frustrated anti-ferromagnets (2017) (9)
Electron transport across electrically switchable magnetic molecules (2009) (9)
High-throughput bandstructure simulations of van der Waals hetero-bilayers formed by 1T and 2H monolayers (2021) (9)
Electronic spin-spin decoherence contribution in molecular qubits by quantum unitary spin dynamics (2019) (9)
The difference of the transport properties of graphene with corrugation structure and with flat structure (2008) (9)
Searching for Photoactive Polymorphs of CsNbQ3 (Q = O, S, Se, Te) with Enhanced Optical Properties and Intrinsic Thermodynamic Stabilities (2018) (9)
Electric field modulation of magnetism in ferrimagnetic Heusler heterostructures (2020) (9)
Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory (2010) (9)
Electronic structure of metal quinoline molecules from G0W0 calculations (2014) (9)
Comment on "theoretical description of carrier mediated magnetism in cobalt doped ZnO". (2009) (9)
Inelastic transport in molecular spin valves: Calculations using the tight-binding Su-Schrieffer-Heeger model (2006) (9)
Synthesis of centimeter-size free-standing perovskite nanosheets from single-crystal lead bromide for optoelectronic devices (2019) (9)
Hydrogen-Intercalated 2D Magnetic Bilayer: Controlled Magnetic Phase Transition and Half-Metallicity via Ferroelectric Switching. (2021) (9)
Electron trapping by neutral pristine ferroelectric domain walls in BiFeO3 (2018) (9)
Data-driven enhancement of cubic phase stability in mixed-cation perovskites (2021) (9)
Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4 Tetrahedral Chains. (2017) (8)
Magnetism in carbon nanoscrolls: Quasi-half-metals and half-metals in pristine hydrocarbons (2009) (8)
Proposal for a Dual Spin Filter Based on [VO(C3S4O)2]2– (2018) (8)
The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes. (2017) (8)
Spectroscopic characterization of a single dangling bond on a bare Si(100)-c(4×2) surface for n- and p-type doping (2012) (8)
Tailoring the Polarity of Charge Carriers in Graphene–Porphine–Graphene Molecular Junctions through Linkage Motifs (2017) (8)
First‐principles investigation of the thermodynamic stability of MB2 materials surfaces (M = Ti/Zr/Hf) (2018) (8)
Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence (2010) (8)
Giant magnetoresistance of nickel-contacted carbon nanotubes (2007) (8)
First principle investigation of transport properties of Lindqvist derivatives based molecular junction. (2012) (8)
Theoretical investigation of the structural, elastic, electronic, and dielectric properties of alkali-metal-based bismuth ternary chalcogenides (2020) (8)
The nanoscale structure of the Pt-water double layer under bias revealed (2019) (8)
Shaping and Storing Magnetic Data Using Pulsed Plasmonic Nanoheating and Spin-Transfer Torque (2019) (8)
Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus (2019) (8)
Spintronics: News from the organic arena. (2012) (8)
Effects of molecular dipole orientation on the exciton binding energy of CH 3 NH 3 PbI 3 (2016) (8)
High-Performance Spin Filters Based on 1,2,4,5-Tetrahydroxybenzene Molecules Attached to Bulk Nickel Electrodes (2021) (8)
Quantitative interpretation of the transition voltages in gold-poly(phenylene) thiol-gold molecular junctions. (2013) (8)
Computational investigation of label free detection of biomolecules based on armchair graphene nanoribbon (2018) (8)
Purely one-dimensional ferroelectricity and antiferroelectricity from van der Waals niobium oxide trihalides (2021) (8)
Fundamental gap of molecular crystals via constrained density functional theory. (2016) (8)
Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes. (2014) (7)
Bias asymmetry in the conductance profile of magnetic ions on surfaces probed by scanning tunneling microscopy (2012) (7)
Search for alternative magnetic tunnel junctions based on all-Heusler stacks (2018) (7)
Current-induced phonon renormalization in molecular junctions (2016) (7)
Multiprobe quantum spin Hall bars (2013) (7)
Electronic transport calculations for the conductance of Pt–1,4-phenylene diisocyanide–Pt molecular junctions (2010) (7)
First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups. (2015) (7)
Crossover between the ballistic and diffusive regime of the spin-conductance and giant magnetoresistance in magnetic multilayered nanostructures (1999) (7)
Vibron-assisted spin relaxation at a metal/organic interface (2015) (7)
Magnetization of electrodeposited nickel: Role of interstitial carbon (2006) (6)
Cu-metalated carbyne acting as a promising molecular wire. (2016) (6)
Cr doping induced negative transverse magnetoresistance in C d 3 A s 2 thin films (2018) (6)
Spin-orbit Hamiltonian for organic crystals from first-principles electronic structure and Wannier functions (2016) (6)
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach (2012) (6)
Single atom anisotropic magnetoresistance on a topological insulator surface (2014) (6)
Spin Transfer Torque: A Multiscale Picture (2016) (6)
Giant Magnetoresistance and Quantum Transport in Magnetic Hybrid Nanostructures. (1999) (6)
Electronic structure of Co doped ZnO from the \textit{GW} perspective (2013) (6)
Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions. (2007) (6)
Machine Learning and High-Throughput Approaches to Magnetism (2020) (6)
Anomalous length dependence of conductance of aromatic nanoribbons with amine anchoring groups (2012) (6)
Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes. (2014) (6)
Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson's ratio and tunable magnetism by doping (2020) (6)
Single-atom based coherent quantum interference device structure. (2015) (6)
Contact geometry and electronic transport properties of Ag–benzene–Ag molecular junctions (2012) (6)
Electronic Transport as a Driver for Self-Interaction-Corrected Methods (2015) (6)
First-principles study of a Mn-doped In2Se3 monolayer: Coexistence of ferromagnetism and ferroelectricity with robust half-metallicity and enhanced polarization (2020) (6)
Surface science: Seeing the spin through (2010) (5)
Dynamical exchange interaction from time-dependent spin density functional theory (2013) (5)
Chapter 7:Electron Transport Theory for Large Systems (2011) (5)
Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations (2022) (5)
Prediction of enhanced ferromagnetism in (Ga,Mn)As by intrinsic defect manipulation (2002) (5)
Magnetic interaction of Co ions near the () ZnO surface (2010) (5)
Hydrogen bonding as the origin of the switching behavior in dithiolated phenylene-vinylene oligomers (2013) (5)
From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport (2011) (5)
Effects of spin–orbit coupling on the conductance of molecules contacted with gold electrodes (2009) (5)
Spin-pumping and inelastic electron tunneling spectroscopy in topological insulators (2012) (5)
Effects of the covalent linker groups on the spin transport properties of single nickelocene molecules attached to single-walled carbon nanotubes. (2012) (5)
Exchange parameters from approximate self-interaction correction scheme. (2007) (5)
Structural and tunneling properties of Si nanowires (2013) (5)
First-Principles Study of Electromigration in the Metallic Liquid State of GeTe and Sb2Te3 Phase-Change Compounds (2020) (5)
Magnetic semiconductors and half-metals (2004) (5)
Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations (2019) (5)
Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study (2013) (5)
Role of longitudinal fluctuations in L10 FePt (2019) (5)
Mechanism of H2O-Induced Conductance Changes in AuCl4-Functionalized CNTs (2015) (5)
Scattered surface charge density: A tool for surface characterization (2011) (4)
The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach. (2015) (4)
Tunneling magnetoresistance in Si nanowires (2016) (4)
Ab initio study of electron transport in dry poly ( G )-poly ( C ) ADNA strands (2010) (4)
Enhancement of giant magnetoresistance due to spin mixing in magnetic multilayers with a superconducting contact (2000) (4)
Spin-Polarized Transport in F/S Nanojunctions (2001) (4)
Ab initio surface properties of Ag-Sn alloys: implications for lead-free soldering. (2018) (4)
HfO2 and SiO2 as barriers in magnetic tunneling junctions (2017) (4)
Enhancing the electronic dimensionality of hybrid organic–inorganic frameworks by hydrogen bonded molecular cations (2019) (4)
Magnetic proximity effect in carbon nanotubes (2005) (4)
Gate controlled spin pumping at a quantum spin Hall edge (2013) (4)
Ferroelectric control of electron half-metallicity in A -type antiferromagnets and its application to nonvolatile memory devices (2020) (4)
Effects of the molecule-electrode interface on the low-bias conductance of Cu-H2-Cu single-molecule junctions. (2016) (4)
Dirac-cone induced gating enhancement in single-molecule field-effect transistors. (2019) (4)
Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations (2016) (4)
Spin-phonon coupling parameters from maximally localized Wannier functions and first-principles electronic structure: Single-crystal durene (2018) (4)
Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au (2009) (3)
PHYSICAL REVIEW B 97, 085303 (2018) Cr doping induced negative transverse magnetoresistance in Cd3As2 thin films (2018) (3)
Strategy for detection of electrostatic spin-crossover effect in magnetic molecules (2013) (3)
Resonant magnetoresistance in organic spin-valves (2006) (3)
Interlayer dielectric function of a type-II van der Waals semiconductor: The HfS2/PtS2 heterobilayer (2019) (3)
Electrical control of spin dynamics in finite one-dimensional systems (2011) (3)
Point-contact Andreev reflection in ferromagnet/superconductor ballistic nanojunctions (2005) (3)
Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface. (2015) (3)
Effect of molecular conformations on the electronic transport in oxygen-substituted alkanethiol molecular junctions. (2018) (3)
Ultrafast Non-local Spin Dynamics in Metallic Bi-Layers by Linear and Non-linear Magneto-Optics (2015) (3)
Quantitative Interpretation of the Low-Bias Conductance of Au-Mesitylene-Au Molecular Junctions Formed from Mesitylene Monolayers. (2016) (3)
Time-Dependent Density Functional Theory for Spin Dynamics (2020) (3)
GMR in 3d, 4d and 5d transition metals multilayers (1999) (3)
First-principles prediction of polar half-metallicity and out-of-plane piezoelectricity in two-dimensional quintuple layered cobalt selenide (2021) (3)
Spin-filtering efficiency of ferrimagnetic spinels CoFe 2 O 4 and NiFe (2013) (3)
Prediction of the two-dimensional Janus ferrovalley material LaBrI (2021) (3)
Atomic self-interaction correction for molecules and solids (2006) (3)
Comparison between s- and d-electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods (2011) (3)
Nontrivial spatial dependence of the spin torques in L10 FePt-based tunneling junctions (2018) (3)
Anomalous length dependence of the conductance of graphene nanoribbons with zigzag edges. (2013) (2)
Current-induced changes of migration energy barriers in graphene and carbon nanotubes. (2016) (2)
The rise of Nb-, Ta-, and Bi-based oxides/chalcogenides for photocatalytic applications (2021) (2)
Influence of the dipolar interactions on the relative stability in spin crossover systems (2017) (2)
Spectral neighbor representation for vector fields: Machine learning potentials including spin (2022) (2)
Protocol for classical molecular dynamics simulations of nano-junctions in solution (2012) (2)
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)] (2012) (2)
In Situ Tuning of the Charge-Carrier Polarity in Imidazole-Linked Single-Molecule Junctions. (2021) (2)
Monte Carlo simulations of donor band exchange in (Zn,Co)O (2007) (2)
Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity (2021) (2)
Magnetomechanical interplay in spin-polarized point contacts (2006) (2)
Using weakly supervised deep learning to classify and segment single-molecule break-junction conductance traces. (2021) (2)
Molecular dynamics investigation of carbon nanotube junctions in non-aqueous solutions (2014) (2)
Interface engineering of graphene nanosheet reinforced ZrB2 composites by tuning surface contacts (2019) (2)
Inversion of the chemical environment representations (2022) (2)
Defect-Related Origin of the Ferromagnetism in ZnO:Co (2009) (2)
The Smeagol method for spin- and molecular-electronics (2005) (2)
Modeling Tools for Magnetism, Magnetic Materials, and Spintronics: Overview (2020) (2)
Spin transfer torque in Mn3Ga -based ferrimagnetic tunnel junctions from first principles (2020) (2)
The search for a spin crossover transition in small sized π-conjugated molecules: a Monte Carlo study (2011) (2)
Real-Time Control of the Resonance Frequency of a Piezoelectric Micromachined Ultrasonic Transducer for Airborne Applications (2021) (2)
Predicting d$^0$ magnetism (2008) (2)
Impurity band magnetism in organic semiconductors (2019) (2)
Photovoltage from ferroelectric domain walls in BiFeO3 (2019) (2)
XDFT: an efficient first-principles method for neutral excitations in molecules (2018) (2)
Wannier-function-based constrained DFT with nonorthogonality-correcting Pulay forces in application to the reorganization effects in graphene-adsorbed pentacene (2018) (2)
Generation of femtosecond spin current pulses via non-thermal spin-dependent Seebeck effect and their interaction with ferromagnets in spin valves (2016) (2)
Publisher's Note: “Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes” [J. Chem. Phys. 141, 174702 (2014)] (2014) (1)
Can half metallic zincblende MnAs be grown (2000) (1)
Accurate self-energy algorithm for quasi-1D systems (2007) (1)
Surfing multiple conformation-property landscapes via machine learning: Designing magnetic anisotropy (2019) (1)
Molecular Electronics: First Principles and Model Approaches (2016) (1)
Erratum: From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport (Physical Review B - Condensed Matter and Materials Physics (2011) 84 (205436)) (2012) (1)
Dimensionality driven charge density wave instability in TiS$_2$ (2013) (1)
Machine-learning approach for quantified resolvability enhancement of low-dose STEM data (2023) (1)
Is magnetoresistance in excess of 1,000 % possible in Ni point contacts? (2007) (1)
HfO$_2$: a new direction for intrinsic defect driven ferromagnetism (2005) (1)
Origin of the periodic structure in the conductance curve of gold nanojunctions in hydrogen environment (2016) (1)
Evolution of Weyl orbit and quantum Hall effect in Dirac semimetal Cd3As2 (2017) (1)
Systematic study of ballistic GMR in magnetic multilayers through the 3d, 4d, and 5d transition metals (1999) (1)
The Jacobi-Legendre potential (2022) (1)
Conductance oscillations in transition metal superlattices (1998) (1)
A rule-free workflow for the automated generation of databases from scientific literature (2023) (1)
Mechanism of H$_2$O Induced Conductance Changes in AuCl$_4$ Functionalized CNTs (2015) (1)
M ay 2 00 9 MgN : a new promising material for spintronic applications (2009) (1)
Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations (2023) (1)
COMPUTATIONAL SPINTRONICS IN HIGHLY CONFINED SYSTEMS (2004) (1)
Alloys and environmental related issues: Toward the computational design of pb-free and stable hybrid materials for solar cells (2017) (1)
Atomistic simulations of surface reactions in ultra-high-temperature ceramics: O2, H2O and CO adsorption and dissociation on ZrB2 (0001) surfaces (2021) (1)
Enabling Room-Temperature Triferroic Coupling in Dual Transition-Metal Dichalcogenide Monolayers Via Electronic Asymmetry. (2023) (1)
Data-driven time propagation of quantum systems with neural networks (2022) (1)
Tailoring magnetoresistance at the atomic level: An ab initio study (2012) (1)
Evidence for different origins of the ferromagnetism in (Ga,Mn)As and (Ga,Mn)N (2003) (1)
Designing magnetism in Fe-based Heusler alloys: a machine learning approach (2017) (1)
Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA code (2021) (1)
Persistent current and Drude weight of one-dimensional interacting fermions on imperfect ring from current lattice density functional theory (2016) (1)
Electronic Transport at the Nanoscale (2010) (1)
Observation of Edge States in Multilayer WTe2 (2019) (1)
Proposal for a dual spin filter based on [VO(C$_3$S$_4$O)$_2$]$^{2-}$ (2017) (1)
A First Principle Study of the Massive TMR in Magnetic Tunnel Junction Using Fe3Al Heusler Alloy Electrodes and MgO Barrier (2015) (1)
Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe$_{\mathrm{5}}$ (2017) (1)
First-principles investigation of spin-phonon coupling in vanadium-based molecular spin qubits (2019) (1)
Constrained-DFT method for energy level alignment of metal-molecule interfaces (2013) (0)
Ultrafast spintronics roadmap: from femtosecond spin current pulses to terahertz non-uniform spin dynamics via nano-confined spin transfer torques (Conference Presentation) (2016) (0)
Effect of a ferromagnetic STM cobalt tip on a single Co-phthalocyanine molecule adsorbed on a ferromagnetic substrate (2021) (0)
Co/AlP/Co, Co/GaN/Co as magnetic tunnel junctions (2021) (0)
Interfacing 2D VS 2 with Janus MoSSe: Electric Polarization Driven Half-metallicity and magnetic order crossover (2022) (0)
A further look at waveguide lasers (1998) (0)
3D-imaging of Printed Nanostructured Networks using High-resolution FIB-SEM Nanotomography (2023) (0)
New Journal of Physics Magnetic interaction of Co ions near the ( 10 1̄ 0 ) ZnO surface (2010) (0)
Processing of UHTCMCs (2017) (0)
Intrinsic Defect Ferromagnetism: The case of Hafnium Oxide (2005) (0)
DFT structural investigation on Fe(1,10-phenanthroline)2 (NCS)2 spin crossover molecule (2013) (0)
Bias Dependent TMR in Fe/MgO/Fe(100) Tunnel Junctions (2006) (0)
Monte-Carlo phase diagram of a Hubbard-Peierls model in the search for spin crossover transition in $\pi$-conjugated polymers (2010) (0)
Spin-polarized conduction in a photoswitching dithienylethene molecule attached to Ni leads (2010) (0)
Applications of Materials Modeling to Magnetism, Magnetic Materials, and Spintronics: Overview (2020) (0)
Anomalous magnetoresistance of magnetic multilayers (2000) (0)
O ct 2 00 7 On-site approximation for spin-orbit coupling in LCAO density functional methods (2007) (0)
Do As antisites destroy the ferromagnetism of (Ga,Mn)As? (2000) (0)
Spin orbit effects in the electronic transport properties of adsorbed graphene nanoribbons (2013) (0)
Magnetism of CoO polymorphs (2008) (0)
Inelastic transport in molecular spin valves (2005) (0)
Comment on "Semiconducting Layered Blue Phosphorus: A Computational Study" (2015) (0)
Alloys and Environmental Related Issues (2017) (0)
Quantum Transport in Inhomogeneous Multi-Wall Nanotubes (2002) (0)
Ultrafast magnetism within time dependent density functional theory (2018) (0)
Erratum: "Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes" [J. Chem. Phys. 132, 054703 (2010)]. (2010) (0)
Quantum Transport in Inhomogeneous Multi-Wall Nanotubes (2002) (0)
N ov 2 01 5 Designing a fully-compensated half-metallic ferrimagnet (2018) (0)
First-principles study of the origin and nature of ferromagnetism in Ga1ÀxMn xAs (2001) (0)
Ab-initio estimation of charge and spin transport properties in Organic Semiconductors (2012) (0)
Andreev Reflection in two-dimensional Topological Insulators (2012) (0)
Bound states in electronic transport through Fe/MgO tunnel junctions (2008) (0)
Magnifying the Landau level transition via resonant coupling in topological node-line semimetal (2018) (0)
Polarizability of molecular chains: does one need exact exchange? (2007) (0)
Excitonic DFT: An Efficient and Flexible Constrained DFT Approach for Simulating Neutral Excitations in Isolated and Periodic Systems (2018) (0)
Spin inelastic electron transport through magnetic nanostructures (2012) (0)
\textit{Ab initio} simulations of the transport properties of Mn$_{12}$ based spin-devices (2008) (0)
Computationally Driven Evaluation of Magnetocrystalline Anisotropy (2021) (0)
Reactivity of transition-metal alloys to oxygen and sulfur (2021) (0)
Ab initio theory of ferromagnetism for AlAs/(Ga,Mn)As heterostructures (2003) (0)
Anomalous magnetoresistance of magnetic multilayers (2000) (0)
Role of longitudinal ﬂuctuations in L1 0 FePt (2020) (0)
Abstract Submitted for the MAR12 Meeting of The American Physical Society Andreev Reflection in two-dimensional Topological Insulators (2012) (0)
Evaluation of Pulay forces due to change in overlap of subspace-projection orbitals in constrained DFT: Application in calculation of reorganization energy of adsorbed molecule (2019) (0)
First principles electronic transport simulations of spin coherence length in disordered graphene nanoribbons due to spin-orbit interaction (2014) (0)
Defect-induced magnetism in oxides (2010) (0)
Robust covalent pyrazine anchors forming highly conductive and polarity-tunable molecular junctions with carbon electrodes. (2022) (0)
Spin-filtering effect in highly coherent molecular spin-qubits (2016) (0)
Computational Understandings Of Hybrid Perovskites For Their Application In Photovoltaics (2014) (0)
Spin-transfer torque at finite bias from density functional theory and non-equilibrium Green's functions (2013) (0)
Anisotropy Lock-in model for the magnetism of (Zn,Co)O (2007) (0)
ZnSe and ZnTe as tunnel barriers for Fe-based spin valves. (2023) (0)
Machine-Learning Surrogate Model for Accelerating the Search of Stable Ternary Alloys (2023) (0)
Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes (2018) (0)
Self-assembly of Metallic Copper Heterostructures Templated by Structural Anisotropy in Black Phosphorus Nanosheets (2019) (0)
Bias Dependent Switching Behavior of STM-Induced Melamine/Cu(001) Switch (2012) (0)
An in- and ex-situ TEM study into the oxidisation of titanium (IV) sulphide (2015) (0)
Ab initio simulations of the transport properties of Mn12 based spin-devices (2008) (0)
Inelastic single-spin transport theory (2012) (0)
First Principles Study of the Phase Transitions of MnAs (2006) (0)
Designing nanoscale organic interconnects via sp<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si11.svg" display="inline" id="d1e1323"><mml:msup><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math>/sp<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" alti (2023) (0)
C 3 HARME PROJECT TITLE : Next generation ceramic composites for combustion harsh environments and space Deliverable 3 . 7 Specific set of recommendation for materials development in WP 2 based on micro-models / DFT (2018) (0)
Single channel conductance of H$_2$ molecules (2004) (0)
First-Principles Prediction of Room Temperature Ferromagnetic Janus VSSe Monolayer with Ferroelasticity, Large Valley/Piezoelectric Polarization (2020) (0)
(Ga,Mn)As/AlAs digital ferromagnetic heterostructures (2004) (0)
Conservation of angular momentum in ultrafast spin dynamics (2021) (0)
Atomistic simulations of domain wall dynamics in magnetic wires (2007) (0)
Spin Transport in Au/n-acene/Au Junction (2012) (0)
Recent experimental advances in scanning tunneling microscopy make the measurement of the conductance spectra of isolated and magnetically coupled atoms on nonmagnetic substrates possible. Notably these spectra are characterized by a competition between the Kondo eect (2011) (0)
Computational investigation of spin-polarization in cobalt/graphite superlattices (2003) (0)
Magnetotransport in multilayers with a superconductingcontactF (0)
Microscopic origin of the 1.3 G(0) conductance observed in oxygen-doped silver quantum point contacts. (2014) (0)
Spin Inelastic Electron Spectroscopy for Single Magnetic Atoms (2013) (0)
Multiprobe quantum spin Hall bars (2014) (0)
Fe- and Co-based magnetic tunnel junctions with AlN and ZnO spacers (2022) (0)
Atomistic spin-dynamics (2010) (0)
International Conference "Trends in Spintronics and Nanomagnetism" (TSN-2010) (2011) (0)
Correction: Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning. (2019) (0)
Molecular quantum phase transistor (2008) (0)
Spin-Phonon Relaxation in Molecular Qubits from First Principles Spin Dynamics (2019) (0)
Electrical detection of optically pumped spin polarization in Ge (2011) (0)
Infinite magnetoresistance of magnetic multilayers (1999) (0)
Photovoltage from ferroelectric domain walls in BiFeO (2019) (0)
Transition between large and small electron polaron at neutral ferroelectric domain walls in BiFeO$_3$ (2021) (0)
First-principles Prediction of Polar Half-Metallicity and Out-of-Plane Piezoelectricity in Two-Dimensional Quintuple Cobalt Selenide (2022) (0)
Materials informatics (2018) (0)
Stiffness and atomic-scale friction in superlubricant MoS$_2$ bilayers (2021) (0)
Quantum Hall effect based on Weyl orbits in Cd3As2 (2018) (0)
Density Functional Study on the Deprotonation and Binding Mechanism of Imidazole on Gold Electrodes in an Aqueous Environment (2022) (0)
The Electrostatic Double Layer of Pt/Water Interfaces From First Principles Molecular Dynamics (2013) (0)
Machine-learning semilocal density functional theory for many-body lattice models at zero and finite temperature (2021) (0)
Contact induced magnetism in carbon nanotubes (2004) (0)
Correlated zero-bias transport in graphene and 2D topological insulators nanostructures (2014) (0)
Magnetic state electrical readout of Mn12 molecules (2009) (0)
1 2 Ju n 20 06 On-site approximation for spin-orbit coupling in LCAO density functional methods (2006) (0)
G eneralG reen ’ s function form alism for transport calculations (2021) (0)
SINK OR SWIM (2011) (0)
Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules (2020) (0)
DFT-NEGF Simulation Study of Co2FeAl-MgO-Co2FeAl Magnetic Tunnel Junctions Under Biaxial Strain (2022) (0)
Highly degenerate 2D ferroelectricity in pore decorated covalent/metal organic frameworks. (2023) (0)
Phenomenology of Andreev reflection from first-principles transport theory (2014) (0)
Electronic Transport properties of SET and REST states of interfacial phase-change memory (2015) (0)
Structure-related effects on the domain wall migration in atomic point contacts (2007) (0)
Smeagol: the ultimate computational tool for spin transport at the nanoscale (2005) (0)
Proton diffusion at the wet yttria stabilized zirconia surface: an ab-initio study (2014) (0)
Quantum transport study of Fermi arc surface states in low-dimensional topological semimetals (2018) (0)
Different Flavours of Constrained Density Functional Theory for Charge Dynamics in Organic Materials (2018) (0)
A theoretical perspective on the modification of the magnetocrystalline anisotropy at molecule-cobalt interfaces (2023) (0)
AFlowLib Band Gap Data Package (2020) (0)
The magnetic genome project (2015) (0)
AuCl$_4$ Functionalized Carbon Nanotubes: Origin of the p-Type Doping (2015) (0)
Field-driven chirality mixing and deformation of Weyl orbits in Dirac semimetals (2016) (0)
Conductance oscillations in transition metal superlattices (1998) (0)
Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory (2012) (0)
Ab initio study of (Ga,Mn)As/GaAs heterojunctions (2000) (0)
Metastable High Entropy Alloys of TiZrHfTa with Glass-Like Characteristics at Low Temperatures (2022) (0)
Investigation of conducting properties of a photochromic dithienylethene molecule using different lead atomic basis sets (2008) (0)
Quantum transport of AuS-SAu nanoscale junctions (2012) (0)
Back Cover: Solar Cell Materials by Design: Hybrid Pyroxene Corner‐Sharing VO4 Tetrahedral Chains (ChemSusChem 9/2017) (2017) (0)
First principles transport calculations on topological surface states scattering (2013) (0)
Giant magnetoresistance across the phase transition in spin crossover molecules (2012) (0)
Material-specific spin filtering in ferromagnet/superconductor ballistic nanojunctions (2000) (0)
Se p 20 06 Atomic self-interaction correction for molecules and solids (2008) (0)

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What Schools Are Affiliated With Stefano Sanvito?

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