相关论文: Dynamic image potential at an Al(111) surface

The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the Density Functional Theory framework, this surface barrier has two non-trivial components: exchange…

We describe procedures to obtain the electronic structure of disordered systems using either tight binding like models or quite directly from ab inito density functional band structure calculations. The band structure is calculated using…

The electron spin polarization (ESP) of the L-gap surface states on Au(111) is investigated theoretically by means of first-principles electronic-structure and photoemission calculations. The surface states show a large spin-orbit induced…

The electrostatic behavior of a prototypical three-dimensional topological insulator Bi$_2$Se$_3$(111) is investigated by a scanning tunneling microscopy (STM) study of the distribution of Rb atoms adsorbed on the surface. The positively…

We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron…

In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…

We consider a system of N non-relativistic spinless quantum particles (``electrons'') interacting with a quantized scalar Bose field (whose excitations we call ``photons''). We examine the case when the velocity v of the electrons is small…

The self-energy, spectral functions and susceptibilities of 2D systems with strong ferromagnetic fluctuations are considered within the quasistatic approach. The self-energy at low temperatures T has a non-Fermi liquid form in the energy…

Electron injection from the tip of a scanning tunneling microscope into a p-type GaAs(110) surface have been used to induce luminescence in the bulk. Atomically-resolved photon maps revealed significant reduction of luminescence intensity…

The motion of free electrons moving parallel and above a semiconductor surface can be influenced by shining laser light onto the surface. Here we report strong deflection of aloof electrons by an undoped GaAs surface illuminated with a…

The surface diffusion potential landscape plays an essential role in a number of physical and chemical processes such as self-assembly and catalysis. Diffusion energy barriers can be calculated theoretically for simple systems, but there is…

We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…

Experiments carried out at our laboratories have led to observing a new type of electrification, now called surface photocharging. For a consistent description, we are weighing carefully the experimental evidence against the common…

We analyse recently measured nonlinear photoemission spectra from Ag surfaces that reveal resonances whose energies do not scale with the applied photon energy but stay pinned to multiples of bulk plasmon energy $\hbar\omega_p$ above the…

In this study, we have performed a detailed investigation of the electronic properties of a core/shell/well/shell multi-layered spherical quantum dot, such as energy eigenvalues, wave functions, electron probability distribution and binding…

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

Surface energy is fundamental in controlling surface properties and surface-driven processes like heterogeneous catalysis, as adsorption energy is. It is thus crucial to establish an effective scheme to determine surface energy and its…

Single electrons trapped on solid neon surfaces (eNe) have recently emerged as a promising platform for charge qubits. Experimental results have revealed their exceptionally long coherence times, yet the actual quantum states of these…

The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…

It is necessary to study the properties of Weyl semimetal nanostructures for potential applications in nanoelectronics. Here we study the Weyl semimetal quantum dot with a most simple model Hamiltonian with only two Weyl points. We focus on…