相关论文: Quantum size effects in Pb islands on Cu(111): Ele…

Molecular Dynamics simulations are reported for the structural and thermodynamic properties of submonolayer xenon adsorbed on the $(111)$ surface of platinum for temperatures up to the (apparently incipient) triple point and beyond. While…

Low temperature scanning tunneling microscope images and spectroscopic data have been obtained on subnanometer size Pb clusters fabricated using the technique of buffer layer assisted growth. Discrete energy levels were resolved in…

Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve…

We analyze the low-lying states for a one-dimensional potential consisting of $N$ identical wells, assuming that the wells are parabolic around the minima. Matching the exact wave functions around the minima and the WKB wave functions in…

The quantum size effect has a significant impact on electrons, such that it can even change their topologically protected properties. An example of this phenomenon is the gap opening in the topologically protected gapless surface state in…

Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of full shells. The original embedded atom method (EAM) was compared to the more…

We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two…

The observations of quantum oscillations in overdoped cuprate superconductors were in agreement with a charge density contained in a cylindrical Fermi surface but the frequencies of lightly doped compounds were much smaller than expected.…

We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…

The proximity effect between a superconductor and a highly diffusive two-dimensional metal was revealed in a Scanning Tunneling Spectroscopy experiment. The in-situ elaborated samples consisted of superconducting single crystalline Pb…

Size-dependent quantization of energy spectrum of conducting electrons in solids leads to oscillating dependence of electronic properties on corresponding dimension(s). In conventional metals with typical energy Fermi EF~1 eV and the charge…

The structural and electronic properties of new structural cubic (GaN)$_1$/(ZnO)$_1$ superlattice have been investigated using two different theoretical techniques: the full potential-linearized augmented plane wave (FP-LAPW) method and the…

We study the atomic oxygen adsorption on Pb(111) surface by using density-functional theory within the generalized gradient approximation and a supercell approach. The atomic and energetic properties of purely on-surface and subsurface…

The physical properties of ultrathin NaCl overlayers on the stepped Cu(311) surface have been characterized using scanning tunneling microscopy (STM) and spectroscopy, and density functional calculations. Simulations of STM images and…

Experiments have revealed multiple quantum oscillation frequencies in underdoped high temperature superconductor $\mathrm{YBa_{2}Cu_{3}O_{6+\delta}}$, corresponding to approximately 10% doping, which contain $\mathrm{CuO}$ bilayers in the…

We use microprobe Angle-Resolved Photoemission Spectroscopy (muARPES) to separately investigate the electronic properties of CuO2 planes and CuO chains in the high temperature superconductor, YBa2Cu4O8. In the CuO2 planes, a two dimensional…

We present a detailed study of the quantum site percolation problem on simple cubic lattices, thereby focussing on the statistics of the local density of states and the spatial structure of the single particle wavefunctions. Using the…

We present the results of self-consistent calculations of the electronic shell and supershell structure for clusters having up to 6000 valence electrons. The ionic background is described in terms of a homogeneous jellium. The calculations…

Topological surface-states can acquire an energy gap when time-reversal symmetry is broken by interfacing with a magnetic insulator. This gap has yet to be measured. Such topological-magnetic insulator heterostructures can host a quantized…

We demonstrate a method to grow height controlled, dislocation-free InGaAs quantum posts (QPs) on GaAs by molecular beam epitaxy (MBE) which is confirmed by structural investigations. The optical properties are compared to realistic 8-band…