Molecular spintronics
S Sanvito - Chemical Society Reviews, 2011 - pubs.rsc.org
The electron spin made its debut in the device world only two decades ago but today our
ability of detecting the spin state of a moving electron underpins the entire magnetic data …
ability of detecting the spin state of a moving electron underpins the entire magnetic data …
Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations
Having served as a playground for fundamental studies on the physics of d and f electrons
for almost a century, magnetic molecules are now becoming increasingly important for …
for almost a century, magnetic molecules are now becoming increasingly important for …
Perspective: Theory of quantum transport in molecular junctions
Molecular junctions, where single molecules are bound to metal or semiconductor
electrodes, represent a unique architecture to investigate molecules in a distinct …
electrodes, represent a unique architecture to investigate molecules in a distinct …
Adsorption of molecular oxygen on doped graphene: Atomic, electronic, and magnetic properties
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr-and Mn-doped graphene is
theoretically studied using density-functional theory in order to clarify if O 2 can change the …
theoretically studied using density-functional theory in order to clarify if O 2 can change the …
A tunable two-impurity Kondo system in an atomic point contact
Two magnetic atoms, one attached to the tip of a scanning tunnelling microscope and one
adsorbed on a metal surface, each constituting a Kondo system, have been proposed as …
adsorbed on a metal surface, each constituting a Kondo system, have been proposed as …
Modulating the electronic and magnetic structures of P-doped graphene by molecule doping
The adsorption of gas molecules on P-doped graphene (PG) was theoretically studied using
density-functional theory in order to find the possibility of modulating electronic and …
density-functional theory in order to find the possibility of modulating electronic and …
Metallic, magnetic and molecular nanocontacts
R Requist, PP Baruselli, A Smogunov… - Nature …, 2016 - nature.com
Scanning tunnelling microscopy and break-junction experiments realize metallic and
molecular nanocontacts that act as ideal one-dimensional channels between macroscopic …
molecular nanocontacts that act as ideal one-dimensional channels between macroscopic …
Kondo blockade due to quantum interference in single-molecule junctions
AK Mitchell, KGL Pedersen, P Hedegård… - Nature …, 2017 - nature.com
Molecular electronics offers unique scientific and technological possibilities, resulting from
both the nanometre scale of the devices and their reproducible chemical complexity. Two …
both the nanometre scale of the devices and their reproducible chemical complexity. Two …
Dynamical mean-field theory for molecular electronics: Electronic structure and transport properties
We present an approach for calculating the electronic structure and transport properties of
nanoscopic conductors that takes into account the dynamical correlations of strongly …
nanoscopic conductors that takes into account the dynamical correlations of strongly …
Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
A Droghetti, I Rungger - Physical Review B, 2017 - APS
We present a computational method to quantitatively describe the linear-response
conductance of nanoscale devices in the Kondo regime. This method relies on a projection …
conductance of nanoscale devices in the Kondo regime. This method relies on a projection …