Browsing by Author "SANVITO, STEFANO"
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First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups
SANVITO, STEFANO (2015)The electronic e ffi ciency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Green’s function formalism ... -
First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride
SANVITO, STEFANO (2012)Transition metal-free magnetism and half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. Here we, for the first time, demonstrate via density functional ... -
First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride
SANVITO, STEFANO (2017) -
First-principles spin-transfer torque in CuMnAs|GaP|CuMnAs junctions
SANVITO, STEFANO (2017) -
First-principles study of high-conductance DNA sequencing with carbon nanotube electrodes
SANVITO, STEFANO; RUNGGER, IVAN (2012)Rapid and cost-effective DNA sequencing at the single nucleotide level might be achieved by measuring a transverse electronic current as single-stranded DNA is pulled through a nanometer-sized pore. In order to enhance ... -
From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport
SANVITO, STEFANO (2011)A class of molecular ribbons, with almost-ideal charge transmission, that is weakly dependent on the anchoring structure or electrode crystalline orientation and easy to synthesize has been identified. Charge transport ... -
A further look at waveguide lasers
SANVITO, STEFANO (IEEE, 1998)A new approach to the dynamical evolution of a waveguide laser is presented which goes beyond the usual Maxwell-Bloch (MB) equations in that it takes fully into account the phase of the matter quantum field that describes ... -
Gate controlled spin pumping at a quantum spin Hall edge
SANVITO, STEFANO; NARAYAN, AWADHESH (2013)We propose a four-terminal device designed to manipulate by all electrical means the spin of a magnetic adatom positioned at the edge of a quantum spin Hall insulator. We show that an electrical gate, able to tune the ... -
Giant Resistance Change across the Phase Transition in Spin-Crossover Molecules
SANVITO, STEFANO (2012)The electronic origin of a large resistance change in nanoscale junctions incorporating spin-crossover molecules is demonstrated theoretically by using a combination of density functional theory and the nonequilibrium ... -
HfO2 and SiO2 as barriers in magnetic tunneling junctions
SANVITO, STEFANO (2017) -
The high-throughput highway to computational materials design
SANVITO, STEFANO (2013)High-throughput computational materials design is an emerging area of materials science. By combining advanced thermodynamic and electronic-structure methods with intelligent data mining and database construction, and ... -
Hydrogen bonding as the origin of the switching behavior in dithiolated phenylene-vinylene oligomers
RUNGGER, IVAN; SANVITO, STEFANO (2013)We investigate theoretically the switching behavior of a dithiolated phenylene-vinylene oligomer sandwiched between Au(111) electrodes using self-interaction corrected density-functional theory combined with the nonequilibrium ... -
I-V curves of Fe/MgO (001) single- and double-barrier tunnel junctions.
RUNGGER, IVAN; SANVITO, STEFANO (2008)In this work, we calculate with ab initio methods the current-voltage characteristics for ideal single- and double-barrier Fe/MgO 001 magnetic tunnel junctions. The current is calculated in the phase-coherent ... -
An in situ and ex situ TEM study into the oxidation of titanium (IV) sulphide
SANVITO, STEFANO (2017) -
Interface and transport properties of Fe/V/MgO/Fe and Fe/V/Fe/MgO/Fe magnetic tunneling junctions
RUNGGER, IVAN; SANVITO, STEFANO (2009)The interface and transport properties of Fe/V/MgO/Fe and Fe/V/Fe/MgO/Fe magnetic tunneling junctions are investigated by using density-functional theory and nonequilibrium Green?s-function methods. Bader analysis reveals ... -
Lattice distortion effects on the magneto-structural phase transition of MnAs.
SANVITO, STEFANO; RUNGGER, IVAN (2005)We present a systematic experimental and theoretical study of the first-order phase transition of epitaxially grown MnAs thin films under biaxial tensile stress. Our results give direct information on the dependence of the ... -
Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics.
O'REGAN, DAVID; NICOLOSI, VALERIA; SANVITO, STEFANO; COLEMAN, JONATHAN; DUESBERG, GEORG; BLAU, WERNER; BOLAND, CONOR (2015)Few-layer black phosphorus (BP) is a new two-dimensional material which is of great interest for applications, mainly in electronics. However, its lack of environmental stability severely limits its synthesis and processing. ... -
Magnetic and electronic properties of D022-Mn3Ge (001) films
RODE, KARSTEN; SANVITO, STEFANO; COEY, JOHN; STAMENOV, PLAMEN; VENKATESAN, MUNUSWAMY (2012)Oriented thin films of Mn3Ge with the tetragonal D022structure,grown on strontium titanate substrates, exhibit a low magnetization M s?=?73?kA m?1 combined with high uniaxial anisotropyK u?=?0.91?MJ m?3 at 300?K, making ... -
Magnetic interaction of Co ions near the {10\bar{1}0} ZnO surface
SANVITO, STEFANO; ARCHER, THOMAS (2010)Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive, since the conventional mechanisms for ...