相关论文: A theoretical model for single molecule incoherent…
Spectral, optical and transport properties of an anisotropic three-dimensional Holstein model are studied within the adiabatic approximation. The parameter regime is appropriate for organic semiconductors used in single crystal based field…
We investigate the application of Hybrid Effective Field Theory (HEFT) -- which combines a Lagrangian bias expansion with subsequent particle dynamics from $N$-body simulations -- to the modeling of $k$-Nearest Neighbor Cumulative…
Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method…
Many atomically thin exfoliated 2D materials degrade when exposed to ambient conditions. They can be protected and investigated by means of transport and optical measurements if they are encapsulated between chemically inert single layers…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…
Helium atom scattering (HAS) is a well established technique for examining the surface structure and dynamics of materials at atomic sized resolution. The HAS technique Helium spin-echo spectroscopy opens up the possibility of compressing…
High bias electrical transport characteristics of freely suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at 250-400K in vacuum and various gases. Self-heating is exploited to examine the temperature dependence of…
In semiconductor quantum dots, the electron hyperfine interaction with the nuclear spin bath is the leading source of spin decoherence at cryogenic temperature. Using high-resolution two-color differential transmission spectroscopy, we…
We investigate the dependence of the inelastic spin excitation contribution to scanning tunneling spectroscopy recorded above Fe adsorbates on the InSb(110) surface at subkelvin temperatures, on bulk doping and tunnel junction resistance.…
We report on a study of the effect upon electrical transport of spinwave scattering from charged quasiparticles in nu=1 quantum Hall ferromagnets (QHFs), including both Heisenberg (single layer) and easy-plane (bilayer) cases. We derive a…
We analyze non-equilibrium current transport in molecular electronic devices, using as an example devices formed by two terphenyl dithiol molecules attached to gold electrodes. Using a first-principles based self-consistent matrix Green's…
Using a density-functional-based transport method we study the conduction properties of several biphenyl-derived dithiol (BPDDT) molecules wired to gold electrodes. The BPDDT molecules differ in their side groups, which control the degree…
Scanning tunneling microscope (STM) is a powerful tool for studying the structural and electronic properties of materials at the atomic scale. The combination of low temperature and high magnetic field for STM and related spectroscopy…
The junction of a scanning tunneling microscope (STM) operating in the tunneling regime was irradiated with femtosecond laser pulses. A photo-excited hot electron in the STM tip resonantly tunnels into an excited state of a single molecule…
Temperature dependencies for concentration and the Hall mobility of electrons for the $\textit{n}$-$\text{Ge} \langle \text{Sb}\rangle$ and \linebreak $\textit{n}$-$\text{Ge} \langle \text{Sb, Au}\rangle$ single crystals uniaxially deformed…
We develop a theoretical framework to describe the scattering of photons against a two-level quantum emitter with arbitrary correlated dephasing noise. This is particularly relevant to waveguide-QED setups with solid-state emitters, such as…
We study in theory the generation and detection of electron spin coherence in nonlinear optical spectroscopy of semiconductor quantum dots doped with single electrons. In third-order differential transmission spectra, the inverse width of…
We report on a novel scheme to perform efficient simulations of Scanning Tunneling Microscopy (STM) of molecules weakly bonded to surfaces. Calculations are based on a tight binding (TB) technique including self-consistency for the molecule…
We compute electrical and thermal conductivities of hydrogen plasmas in the non-degenerate regime using Kohn-Sham Density Functional Theory (DFT) and an application of the Kubo-Greenwood response formula, and demonstrate that for thermal…