相关论文: Donor Wavefunctions in Si Gauged by STM Images
The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on Density Functional Theory calculations combined with the…
We consider elastic reflection and transmission of electrons by a disordered system characterized by a $2N\!\times\!2N$ scattering matrix $S$. Expressing $S$ in terms of the $N$ radial parameters and of the four $N\!\times\!N$ unitary…
We derive a non-linear sigma-model for the transport of light (classical waves) through a disordered medium. We compare this extension of the model with the well-established non-linear sigma-model for the transport of electrons…
Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…
We consider an electron-phonon system in two and three dimensions on square, hexagonal and cubic lattices. The model is a modification of the standard Holstein model where the optical branch is appropriately curved in order to have a…
We model the 2-probe conductance of a quantum point contact (QPC), in linear response. If the QPC is highly non-adiabatic or near to scatterers in the open reservoir regions, then the usual distinction between leads and reservoirs breaks…
Density functional theory (DFT) is used to rationalize magnetic parameters of hydrated electron trapped in alkaline glasses as observed using Electron Paramagnetic Resonance (EPR) and Electron Spin Echo Envelope Modulation (ESEEM)…
Among newly discovered two-dimensional (2D) materials, semiconducting ultrathin sheets of MoS2 show potential for nanoelectronics. However, the carrier mobility in MoS2 is limited by scattering from surface impurities and the substrate. To…
We study the effect of conformations on charge transport in a thin elastic tube. Using the Kirchhoff model for a tube with any given Poisson ratio, cross-sectional shape and intrinsic twist, we obtain a class of exact solutions for its…
Single-ion magnetic anisotropy in molecular magnets leads to spin flip excitations that can be measured by inelastic scanning tunneling microscope (STM) spectroscopy. Here I present a semi ab initio scheme to compute the spectral features…
The linear conductance of a carbon nanotube quantum dot in the Wigner molecule regime, coupled to two scanning tunnel microscope tips is inspected. Considering the high temperature regime, the nanotube quantum dot is described by means of…
Refractive scintillation effects are powerful techniques for discriminating between different models proposed for the electron density fluctuation spectrum in the ISM. Data from our long-term scintillation study of 18 pulsars in the DM…
We demonstrate the emergence of transparent behavior in a chain of periodically spaced non-identical quantums emitters coupled to a waveguide, in the special case when the inter-atomic separation is a half-integral multiple of the resonant…
Compton scattering of low-frequency radiation by an isotropic distribution of (i) mildly and (ii) ultra relativistic electrons is considered. It is shown that the ensemble-averaged differential cross-section in this case is noticeably…
The forms of electron density structures in kinetic Alfven wave turbulence are studied in connection with scintillation. The focus is on small scales $L \sim 10^8-10^{10}$ cm where the Kinetic Alfv\'en wave (KAW) regime is active in the…
Nanoscale optoelectronics and molecular-electronics systems operate with current injection and nonequilibrium tunneling, phenomena that challenge consistent descriptions of the steady-state transport. The current affects the…
Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the…
The competition between different and unusual effects in quasi-one-dimensional conductors makes the direct interpretation of experimental measurements of these materials both difficult and interesting. We consider evidence for the existence…
The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…
We point out that a typical two-electron distribution function in atoms and molecules often called the intracule depends sensitively on the electron-electron repulsion which leads to the so-called Coulomb correlation. The difference between…