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We extend our previous symmetrized path-integral molecular dynamics approach to calculate tunneling splittings of molecules in rotationally excited states. In this new formalism, the system is rigorously projected onto selected rotational…

Chemical Physics · Physics 2026-04-15 Lea Zupan , Yu-Chen Wang , Jeremy O. Richardson

The symmetry of single-molecule magnets dictates their spin quantum dynamics, influencing how such systems relax via quantum tunneling of magnetization (QTM). By reducing a system's symmetry, through the application of a magnetic field or…

In molecular nanotechnology, a single molecule is envisioned to act as the basic building block of electronic devices. Such devices may be of special interest for organic photovoltaics, data storage, and smart materials. However, more often…

Materials Science · Physics 2019-05-22 Reinhard J. Maurer , Karsten Reuter

A strong inhomogeneous static electric field is used to spatially disperse a rotationally cold supersonic beam of 2,6-difluoroiodobenzene molecules according to their rotational quantum state. The molecules in the lowest lying rotational…

We develop a theoretical model for how organic molecules can control the electronic and transport properties of an underlying transistor channel to whose surface they are chemically bonded. The influence arises from a combination of…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Smitha Vasudevan , Neeti Kapur , Tao He , Matthew Neurock , James M. Tour , Avik W. Ghosh

When circularly polarized light is scattered from a rotating target, a rotational Doppler shift (RDS) emerges from an exchange of angular momentum between the spinning object and the electromagnetic field. Here, we used coherently spinning…

Molecular electronics and other technologies whose components comprise individual molecules have been pursued for half a century because the molecular scale represents the limit of miniaturisation of objects whose structure is tuneable for…

We assemble charged colloidal spheres at deliberately chosen locations on a charged unstructured glass substrate utilizing ion exchange based electro-osmotic micro-pumps. Using microscopy, a simple scaling theory and Brownian Dynamics…

Soft Condensed Matter · Physics 2017-04-05 Ran Niu , Erdal C. Oğuz , Hannah Müller , Alexander Reinmüller , Denis Botin , Hartmut Löwen , Thomas Palberg

Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab…

Mesoscale and Nanoscale Physics · Physics 2014-04-04 Thomas K. Haxton , Hui Zhou , Isaac Tamblyn , Daejin Eom , Zonghai Hu , Jeffrey B. Neaton , Tony F. Heinz , Stephen Whitelam

We have used a scanning tunneling microscope to demonstrate that a single CuO_2 plane can form a stable and atomically ordered layer at the surface of Bi_2Sr_2CaCu_2O_{8+delta}. In contrast to previous studies on high-T_c surfaces, the…

Superconductivity · Physics 2009-11-07 S. Misra , S. Oh , D. J. Hornbaker , T. DiLuccio , J. N. Eckstein , A. Yazdani

By means of electronic transport, we study the transverse magnetic anisotropy of an individual Fe$_4$ single-molecule magnet (SMM) embedded in a three-terminal junction. In particular, we determine in situ the transverse anisotropy of the…

Mesoscale and Nanoscale Physics · Physics 2016-08-10 M. Misiorny , E. Burzurí , R. Gaudenzi , K. Park , M. Leijnse , M. R. Wegewijs , J. Paaske , A. Cornia , H. S. J. van der Zant

MnBi$_2$Te$_4$, a two-dimensional magnetic topological insulator with a uniaxial antiferromagnetic structure, is an ideal platform to realize quantum anomalous Hall effect. However, the strength of magnetic interactions is not clear yet. We…

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…

Mesoscale and Nanoscale Physics · Physics 2010-10-29 Maciej Misiorny , Irenuesz Weymann , Jozef Barnas

We investigate magnetic coupling between a monolayer of prototype single-molecule magnets Mn12 and a ferromagnetic Ni(111) substrate through S, using density-functional theory (DFT) and a DFT+U method. Our DFT and DFT+U calculations show…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Kyungwha Park

Molecular-scale components are expected to be central to nanoscale electronic devices. While molecular-scale switching has been reported in atomic quantum point contacts, single-molecule junctions provide the additional flexibility of…

We investigate the coupling of a nanomechanical oscillator in the quantum regime with molecular (electric) dipoles. We find theoretically that the cantilever can produce single-mode squeezing of the center-of-mass motion of an isolated…

Quantum Physics · Physics 2009-11-13 S. Singh , M. Bhattacharya , O. Dutta , P. Meystre

We have measured the irreversible magnetization M_i of an ErBa_2Cu_3O_7 single crystal with columnar defects (CD), using a technique based on sample rotation under a fixed magnetic field H. This method is valid for samples whose…

Superconductivity · Physics 2009-11-07 M. A. Avila , L. Civale , A. V. Silhanek , R. A. Ribeiro , O. F. de Lima , H. Lanza

The organometallic ring molecules Fe_6 and Fe_10 are leading examples of a class of nanoscopic molecular magnets, which have been of intense recent interest both for their intrinsic magnetic properties and as candidates for the observation…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 B. Normand , X. Wang , X. Zotos , Daniel Loss

The rates of a hindered molecular rotation induced by tunneling electrons are evaluated using scattering theory within the sudden approximation. Our approach explains the excitation of copper phthalocyanine molecules (CuPc) on Cu(111) as…

Materials Science · Physics 2013-12-30 J. Schaffert , M. C. Cottin , A. Sonntag , C. A. Bobisch , R. Moeller , J. -P. Gauyacq , N. Lorente

We have carried out a preliminary design and simulation of a single-electron resistive switch based on a system of two linear, parallel, electrostatically-coupled molecules: one implementing a single-electron transistor and another serving…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Nikita Simonian , Andreas Mayr , Konstantin K. Likharev
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