相关论文: Theory of STM junctions for \pi-conjugated molecul…
Vortices play a crucial role in determining the properties of superconductors as well as their applications. Therefore, characterization and manipulation of vortices, especially at the single vortex level, is of great importance. Among many…
The spin Hall effect in tungsten films has been experimentally studied by using STM-based measurements. These measurements have been performed by using tungsten and iron coated tungsten tips. In the case of tungsten tips, it has been…
The mechanical properties of the so-called `super' carbon nanotubes (STs) are investigated using classical molecular dynamics simulations. The STs are built from single walled carbon nanotubes (SWCNTs) connected by Y-like junctions forming…
Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…
Spectroscopic-imaging scanning tunneling microscopy is a powerful technique to study quantum materials, with the ability to provide information about the local electronic structure with subatomic resolution. However, as most spectroscopic…
A scanning tunneling microscope can probe the inelastic spin excitations of a single magnetic atom in a surface via spin-flip assisted tunneling in which transport electrons exchange spin and energy with the atomic spin. If the inelastic…
Motivated by the transmission of topological surface states through atomic scale steps, we study the transport of gapless Dirac fermions on hyperbolic surfaces. We confirm that, independent of the curvature of the hyperbolae and the…
We propose a model of transport in thick-film resistors which naturally explains the observed nonuniversal values of the conductance exponent t extracted in the vicinity of the percolation transition. Essential ingredients of the model are…
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach to simulate spin-polarized scanning tunneling microscopy (SP-STM) above…
Scanning tunneling microscopy (STM) is a powerful technique for imaging atomic structure and inferring information on local elemental composition, chemical bonding, and electronic excitations. However, traditional methods of visual…
Single molecule scanning tunneling spectroscopy (STS), with dephasing due to elastic and inelastic scattering, is of some current interest. Motivated by this, we report an extended Huckel theory (EHT) based mean-field Non-equilibrium…
Scanning probe microscopy (SPM) images of regularly arranged spatially periodic objects can be processed crystallographically. The resulting information may be used to remove from the SPM image distortions that are due to a less than…
The invention of scanning tunneling microscope (STM) dates back to the work of Binnig and Rohrer in the early 1980s, whose seminal contribution was rewarded by the 1986 Nobel Prize in Physics for the design of the scanning tunneling…
Recent molecular dynamics simulation methods have enabled thermal conductivity of bulk materials to be estimated. In these simulations, periodic boundary conditions are used to extend the system dimensions to the thermodynamic limit. Such a…
We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are…
We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave-functions of the tip and sample are calculated separately on the…
A plasma transport theory that spans weak to strong coupling is developed from a binary collision picture, but where the interaction potential is taken to be an effective potential that includes correlation effects and screening…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…
Many new material systems are being explored to enable smaller, more capable and energy efficient devices. These bottom up approaches for atomic and molecular electronics, quantum computation, and data storage all rely on a well-developed…
Topological crystalline insulators (TCI) are unique systems where a band inversion that is protected by crystalline mirror symmetry leads to a multiplicity of topological surface states. Binary SnTe is an attractive lead-free TCI compound;…