相关论文: Tight Binding Model of Mn12 Single Molecule Magnet…

We investigate single molecule magnet transistors (SMMTs) with ligands that support transport resonances. We find the lowest unoccupied molecular orbitals of Mn12-benzoate SMMs (with and without thiol or methyl-sulfide termination) to be on…

We examine theoretically coherent electron transport through the single-molecule magnet Mn$_{12}$, bridged between Au(111) electrodes, using the non-equilibrium Green's function method and the density-functional theory. We analyze the…

We study transport properties of a single-molecule magnet (SMM) weakly coupled to one nonmagnetic and one ferromagnetic lead. Using the diagrammatic technique in real time, we calculate transport in the sequential and cotunneling regimes…

We study Mn12O12(C6H5COO)16(H2O)4 (Mn12-Ph) single-molecule magnets on highly ordered pyrolytic graphite (HOPG) using low temperature scanning tunneling microscopy (LT-STM) experiments. We report Mn12-Ph in isolation, resembling single…

The electronic structure of a monolayer of single-molecule magnets Mn$_{12}$ on a Au(111) surface is studied using spin-polarized density-functional theory. The Mn$_{12}$ molecules are oriented such that the magnetic easy axis is normal to…

We report transport measurements through a single-molecule magnet, the Mn12 derivative [Mn12O12(O2C-C6H4-SAc)16(H2O)4], in a single-molecule transistor geometry. Thiol groups connect the molecule to gold electrodes that are fabricated by…

We consider tunneling transport through a Mn$_{12}$ molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wavefunctions from Kohn-Sham orbitals allows for the determination of…

Single molecular magnets (SMMs) and Metal-Organic Frameworks (MOFs) attract significant interest due to their potential in quantum information processing, scalable quantum computing, and extended lifetimes and coherence times. The limiting…

The recently synthesized M\"obius carbon nanobelts (CNBs) have gained attention owing to their unique $\pi$-conjugation topology, which results in distinctive electronic properties with both fundamental and practical implications. Although…

Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…

Magnetic switching of a single-molecule magnet (SMM) due to spin-polarized current is investigated theoretically. The charge transfer between the electrodes takes place via the lowest unoccupied molecular orbital (LUMO) of the SMM.…

We explore theoretically the spin transport in nanostructures consisting of a gold quantum dot bridging nonmagnetic electrodes and two Mn12-Ph single molecule magnets (SMMs) that are thiol-bonded to the dot but are not in direct contact…

Single molecular magnet (SMM) like paramagnetic molecules interacting with the ferromagnetic electrodes of a magnetic tunnel junction (MTJ) produce a new system that differs dramatically from the properties of isolated molecules and…

This article takes a broad view of the understanding of magnetic bistability and magnetic quantum tunneling in single-molecule magnets (SMMs), focusing on three families of relatively simple, low-nuclearity transition metal clusters: spin S…

In this work we study theoretically the coupling of single molecule magnets (SMMs) to a variety of quantum circuits, including microwave resonators with and without constrictions and flux qubits. The main results of this study is that it is…

We examine electron transport through a single-molecule magnet Mn12 bridged between Au electrodes using the first-principles method. We find crucial features which were inaccessible in model Hamiltonian studies: spin filtering and a strong…

Single-molecule transistors provide a unique experimental tool to investigate the coupling between charge transport and the molecular degrees of freedom in individual molecules. One interesting class of molecules for such experiments are…

The magnetization reversal in a single molecular magnet (SMM) weakly coupled to an electrode with spin-dependent splitting of chemical potentials (spin bias) is theoretically investigated by means of the rate equation. A microscopic…

A new high symmetry Mn12 oxocarboxylate cluster [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]*8CH2Cl2 (1) with mixed carboxylate ligands is reported. It was synthesized by the standard carboxylate substitution method. 1 crystallizes in the…

We demonstrate that in a single molecule magnet (SMM) strongly coupled to electrodes the Kondo effect involves all magnetic excitations. This Kondo effect is induced by the quantum tunneling of the magnetic moment (QTM). Importantly, the…