Single-molecule quantum-transport phenomena in break junctions
Single-molecule junctions—devices in which a single molecule is electrically connected by
two electrodes—enable the study of a broad range of quantum-transport phenomena even …
two electrodes—enable the study of a broad range of quantum-transport phenomena even …
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 …
The environment-dependent behavior of the blatter radical at the metal–molecule interface
Stable organic radicals have potential applications for building organic spintronic devices.
To fulfill this potential, the interface between organic radicals and metal electrodes must be …
To fulfill this potential, the interface between organic radicals and metal electrodes must be …
Interplay between magnetoresistance and Kondo resonance in radical single-molecule junctions
We report transport measurements on tunable single-molecule junctions of the organic
perchlorotrityl radical molecule, contacted with gold electrodes at low temperature. The …
perchlorotrityl radical molecule, contacted with gold electrodes at low temperature. The …
Single-molecule fullerenes: current stage and perspective
H Nie, C Zhao, Z Shi, C Jia, X Guo - ACS Materials Letters, 2022 - ACS Publications
Single-molecule techniques can reveal new fundamental physical and chemical effects of
matters at the single-molecule scale, and build functional devices based on molecular …
matters at the single-molecule scale, and build functional devices based on molecular …
Dynamical mean-field theory for spin-dependent electron transport in spin-valve devices
We present a combination of density functional theory and dynamical mean-field theory
(DMFT) for computing the electron transmission through two-terminal nanoscale devices …
(DMFT) for computing the electron transmission through two-terminal nanoscale devices …
Radical‐Induced Changes in Transition Metal Interfacial Magnetic Properties: A Blatter Derivative on Polycrystalline Cobalt
EM Nowik‐Boltyk, T Junghoefer… - Angewandte Chemie …, 2024 - Wiley Online Library
In this work, we study the interface obtained by depositing a monolayer of a Blatter radical
derivative on polycrystalline cobalt. By examining the occupied and unoccupied states at the …
derivative on polycrystalline cobalt. By examining the occupied and unoccupied states at the …
method for electron correlation effects at transition metal surfaces
We present a computational approach for electronically correlated metallic surfaces and
interfaces, which combines density functional and dynamical mean-field theory using a …
interfaces, which combines density functional and dynamical mean-field theory using a …
Strongly correlated physics in organic open-shell quantum systems
Strongly correlated physics arises due to electron-electron scattering within partially-filled
orbitals, and in this perspective, organic molecules in open-shell configuration are good …
orbitals, and in this perspective, organic molecules in open-shell configuration are good …
Unified formulations for RKKY interaction, side Kondo behavior, and Fano antiresonance in a hybrid tripartite quantum dot device with filtered density of states
JN Wang, WH Zhou, YX Yan, W Li, N Nan, J Zhang… - Physical Review B, 2022 - APS
Hybrid quantum dot structures are potential building blocks for spintronic devices and
quantum logic gates, within which the understanding of many-body correlations is a …
quantum logic gates, within which the understanding of many-body correlations is a …