Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines
It is established that density functional theory (DFT)+ U is a better choice compared to DFT
for describing the correlated electron metal center in organometallics. The value of the …
for describing the correlated electron metal center in organometallics. The value of the …
Spin-dependent heat signatures of single-molecule spin dynamics
We investigate transient spin-dependent thermoelectric signatures in a single-molecule
magnet under the effect of a time-dependent voltage pulse. We model the system using …
magnet under the effect of a time-dependent voltage pulse. We model the system using …
Charge transport in a junction with a precessing anisotropic molecular spin--negative shot noise at zero-bias voltage
M Filipovic - arXiv preprint arXiv:2408.02823, 2024 - arxiv.org
Anisotropic molecular magnets can be employed to manipulate charge transport in
molecular nanojunctions. The charge transport through an electronic level connected to …
molecular nanojunctions. The charge transport through an electronic level connected to …
Dynamics of spin relaxation in nonequilibrium magnetic nanojunctions
We investigate nonequilibrium phenomena in magnetic nano-junctions using a numerical
approach that combines classical spin dynamics with the hierarchical equations of motion …
approach that combines classical spin dynamics with the hierarchical equations of motion …
Berry-phase blockade and oscillations in single-molecule magnets and coupled to polarized leads
H Yao, F Chi, L Liu - Modern Physics Letters B, 2020 - World Scientific
We have studied the Berry-phase interference in single-molecule magnets Mn 1 2 and Fe 8
coupled to polarized electrodes in the Coulomb blockade regime under external magnetic …
coupled to polarized electrodes in the Coulomb blockade regime under external magnetic …
Dynamics of Magnetic Molecules under Electrical Control
H Hammar - 2019 - diva-portal.org
This thesis theoretically studies the dynamics of molecular magnets under electrical control.
Molecular magnets are nanoscale magnets that can, eg, consist of single-molecules or …
Molecular magnets are nanoscale magnets that can, eg, consist of single-molecules or …