相关论文: Patterning molecular scale paramagnets at Au Surfa…
Integration of electron spin resonance (ESR) in a scanning tunneling microscope (STM) has enabled an all-electrical control of atomic and molecular spins on solid surfaces with atomic-scale precision and energy resolution beyond thermal…
The spintronic properties of magnetic molecules have attracted significant scientific attention. Special emphasis has been placed on the qubit for quantum information processing. The single molecule magnet, bis(phthalocyaninato (Pc))…
A recent experimental breakthrough allowed to probe electronic parametric resonance of a single magnetic atom in an STM setup. The results present intriguing features, such as an asymmetric lineshape and unusually large ratio of the…
The surface a thin-film is attached to and the surrounding monolayer causes geometrical confinement of a interrogated molecule; we look at the base case of a SC$_{18}H_{37}$ in a SC$_{18}H_{37}$ monolayer on Au[111]. Normal mode analysis…
Because of its promising contribution to the bottom-up approach for nanofabrication of complex molecular architectures, self-organization is widely studied nowadays. Numerous studies have tackled supramolecular chirality or low-dimensional…
We show how to describe the coupling of electrons to non-uniform magnetic fields in the framework of the widely used norm-conserving pseudopotential appro ximation for electronic structure calculations. Our derivation applies to magnetic…
The development of electron spin resonance (ESR) combined with scanning tunneling spectroscopy (STM) is undoubtedly one of the main experimental breakthroughs in surface science of the last decade thanks to joining the extraordinarily high…
The surface conductivity is measured by a four-probe technique for pentacene and rubrene single-crystals laminated on polarized and nearly unpolarized molecular monolayers with application of perpendicular electric fields. The polarization…
Magnetic excitations of single atoms on surfaces have been widely studied experimentally in the past decade. Lately, systems with unprecedented magnetic stability started to emerge. Here, we present a general theoretical investigation of…
We propose a protocol to certify the presence of entanglement in artificial on-surface atomic and molecular spin arrays using electron spin resonance carried by scanning tunnel microscopes (ESR-STM). We first generalize the theorem that…
Atomic-scale magnetic nanostructures are promising candidates for future information processing devices. Utilizing external electric field to manipulate their magnetic properties is an especially thrilling project. Here, by careful…
We have investigated the conductance properties of C60-containing self-assembled monolayers (SAMs), which are used in organic field-effect transistors, employing a combination of molecular-dynamics simulations, semiempirical electronic…
Combining electron paramagnetic resonance (EPR) with scanning tunneling microscopy (STM) enables detailed insight into the interactions and magnetic properties of single atoms on surfaces. A requirement for EPR-STM is the efficient coupling…
The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of…
Single molecular rotor is an important component for constructing bot-tom-up molecular mechanical machines and a window for shedding light on complex physical and chemical questions about motions of organic molecules on surfaces. Stability…
Artificial nanostructures, fabricated by placing building blocks such as atoms or molecules in well-defined positions, are a powerful platform in which quantum effects can be studied and exploited on the atomic scale. Here, we report a…
We have investigated the radical functionalization of gold surfaces with a derivative of the perchlorotriphenylmethyl (PTM) radical, using two methods: by chemisorption from the radical solution and by on surface chemical derivatization…
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…
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…
The ongoing miniaturization in nanoscience and -technology challenges the sensitivity and selectivity of experimental analysis methods to the ultimate level of single atoms and molecules. A promising new approach, addressed here, focuses on…