Single-molecule quantum-transport phenomena in break junctions

P Gehring, JM Thijssen, HSJ van der Zant - Nature Reviews Physics, 2019 - nature.com
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 …

Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

A Lunghi, S Sanvito - Nature Reviews Chemistry, 2022 - nature.com
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 …

The environment-dependent behavior of the blatter radical at the metal–molecule interface

JZ Low, G Kladnik, LL Patera, S Sokolov, G Lovat… - Nano Letters, 2019 - ACS Publications
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 …

Interplay between magnetoresistance and Kondo resonance in radical single-molecule junctions

G Mitra, JZ Low, S Wei, KR Francisco, M Deffner… - Nano Letters, 2022 - ACS Publications
We report transport measurements on tunable single-molecule junctions of the organic
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 …

Dynamical mean-field theory for spin-dependent electron transport in spin-valve devices

A Droghetti, MM Radonjić, L Chioncel, I Rungger - Physical Review B, 2022 - APS
We present a combination of density functional theory and dynamical mean-field theory
(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 …

method for electron correlation effects at transition metal surfaces

A Droghetti, MM Radonjić, A Halder, I Rungger… - Physical Review B, 2022 - APS
We present a computational approach for electronically correlated metallic surfaces and
interfaces, which combines density functional and dynamical mean-field theory using a …

Strongly correlated physics in organic open-shell quantum systems

G Gandus, D Passerone, R Stadler, M Luisier… - arXiv preprint arXiv …, 2022 - arxiv.org
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 …

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 …